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(2008) The befores and afters of molecular replacement Acta Crystallographica D Biological Crystallography, 64, 17 24 A review of molecular replacement Glusker, JP, Lewis, M and Rossi, M (1994) Crystal Structure Analysis for Chemists and Biologists, VCH, New York A superbly readable, comprehensive and accessible description of X-ray crystallography Karplus, PA and Faerman, C (1994) Ordered water in macromolecular structure Current Opinion in Structural Biology, 4, 770 6 A mini-review of structural water at protein surfaces Ke, HM (1997) Overview of isomorphous replacement phasing Methods in Enzymology, 276, 448 61 A review of isomorphous replacement McPherson, A (1990) Current approaches to macromolecular crystallisation European Journal of Biochemistry, 189, 1 23 A review of the process of protein crystallisation McPherson, A (2004) Introduction to protein crystallization Methods, 34, 254 65 An excellent introduction to crystallization of proteins McPherson, A and Cudney, B.



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and/or multilayer packages containing two or more different polymers are used. Figure 4.5 shows the proportions of major plastics found in packaging in U.S. municipal solid waste in 1998.





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(2006) Searching for the silver bullets: An alternative strategy for crystallizing macromolecules Journal of Structural Biology, 156, 387 406 A fascinating development in increasing the success of crystallization screens Messerschmidt, A (2007) X-ray Crystallography of Biomacromolecules Wiley-VCH Verlag GmbH, Weinheim A comprehensive description of current practice in X-ray diffraction Qian, B , Raman, S, Das, R et al (2007) High-resolution structure prediction and the crystallographic phase problem Nature, 450, 259 64 A new modelling method which offers improved solution to the phase problem including de novo structure prediction Schwartz, T, Rould, MA, Lowenhaupt, K et al (1999) Crystal structure of the Z domain of the human editing enzyme ADAR1 bound to left-handed Z-DNA Science, 284, 1841 5 A good example of structure determination of a DNA protein macromolecular complex Stewart, I (1997) Crystallography of a golf ball Scienti c American, 276, 96 8.

Minor sub-contracting of non-critical elements Minor sub-contracting of critical elements Significant sub-contracting to accredited supplier, not single source

An entertaining description of the mathematics of symmetry taking golf balls as a concrete example!.

Uncertainty (module 1)

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On the CD-ROM The drawing used in the following exercise on creating 3D polar arrays, ab24-d.dwg, is in the Drawings folder on the CD-ROM.

The control charts discussed earlier are very useful in the diagnostic aspects of quality process improvement They can be used to stabilize a process by identifying out-of-control situations After the process is stabilized and brought in control, further improvement of the process can be achieved by using some special control charts such as the cumulative sum (CUSUM) control chart and the exponentially weighted moving average (EWMA) control chart These control charts can be used when small shifts in a process are of interest CUSUM Control Chart A CUSUM chart provides an ef cient way of detecting small shifts in the mean of a process (<1/2 ) For larger shifts (>1/2 ), the x chart is usually used The CUSUM chart incorporates information contained in a sequence of sample points It keeps track of the cumulative sum of the deviations between each sample point (a sample mean) and a target value.

Unlike the x chart, which often bases its out-of-control decision on just the most recently collected sample, the CUSUM calculated for a sample point carries the history prior to that sample For example, a sequence of sample points above the centerline can trigger an out-of-control signal although all of them stayed well below the UCLs of the x chart There are two forms of the CUSUM chart, the tabular form and the V-mask form Due to its practicality, the tabular form is more preferred in industrial settings The tabular CUSUM accumulates deviations from a target value (or a known process mean 0).

To zoom in 3D Orbit, right-click and choose Zoom from the 3D Orbit shortcut menu or type 8. You see the familiar magnifying glass cursor with a plus (+) and a minus ( ) sign. Click and drag in the direction of the plus sign (toward the top of your screen) to zoom in; click and drag in the direction of the minus sign (toward the bottom of your screen) to zoom out, just as you do when you normally use zoom real-time. To stop zooming, switch to any other mode.

Deviations above that target value are cumulated as a one-sided upper CUSUM (C+) and deviations below the target value are cumulated as one-sided lower CUSUM (C ): Ci+ = max[0, xi ( 0 + k x ) + Ci+ 1] Ci = max [0, ( 0 k x ) xi + Ci 1] (19).

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