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Acta Crystallographica Section D research papers
Table 1 Data collection statistics
Crystal DR6 Lysozyme StyA1
Native HMT TPT TaB TaB
Dataset SIRAS MAD W-peak Ta-peak Br-peak Ta-peak
Peak Inflection point Remote
Temperature of collection 100 K 100
Wavelength (Å) 1.54 1.54 1.21461 1.21506 1.21340 1.21471 1.25496 0.91977 1.2250
Resolution limit (Å) 3.3 3.0 2.9 2.9 2.9 1.9 1.8 1.8 2.4
Unit cell parameters P6 122 P6 122 P21
a (Å) 77.88 77.34 77.27 77.24 77.27 86.51 86.35 86.39 61.67
b (Å) 78.62
c (Å) 183.70 184.64 184.71 184.64 184.68 68.22 68.86 68.87 75.36
β (°) 107.52
Completeness (%) b 99.9 (100.0) 99.7 (99.6) 99.8 (99.8) 99.3 (99.8) 99.8 (99.8) 100.0 (100.0) 98.5 (97.1) 99.5 (99.0) 99.2(96.3)
Anomalous Completeness (%) b - 100.0 (100.0) 99.9 (100.0) 99.4 (100.0) 99.6 (100.0) 100.0 (100.0) 98.9 (97.6) 99.7 (99.3) 98.1(89.4)
R merge (%) b 18.2 (40.1) 10.4 (34.2) 7.8 (30.7) 6.5 (24.2) 8.6 (35.3) 8.0 (39.4) 6.0 (31.2) 6.6 (38.2) 8.8(53.3)
R pim (%) b 6.9 (14.3) 8.2 (27.1) 5.6 (22.6) 4.7 (17.7) 6.2 (25.9) 3.3 (16.2) 2.7 (14.2) 3.0 (17.3) 7,3(33,6)
b 10.9 (5.2) 12.2 (3.9) 14.6 (4.5) 16.9 (5.7) 13.3 (4.0) 20.2 (6.1) 25.9 (6.6) 23.4 (6.0) 9.67(1.67)
Redundancy b 7.7 (8.7) 4.5 (4.7) 5.0 (5.2) 5.0 (5.2) 5.0 (5.2) 12.8 (12.9) 10.6 (10.8) 10.7 (10.9) 2.4(2.0)
CC anom a - 0.144 0.858 0.679 0.339 0.715 0.886 0.490 0.732
a Anomalous difference correlation between half-sets computed in SCALA (Evans, 2006) (not available for the native DR6 dataset).
b
Values given in parenthesis represent the highest resolution shell. (DR6-native: 3.48-3.30 Å; DR6-Na6[H2W12O40]: 3.16-3.00 Å; Peak: 3.06-2.90 Å; Inflection point: 3.06-
2.90 Å; Remote: 3.06-2.90 Å; Lysozyme-W-peak: 2.00-1.90 Å; Lysozyme-Ta-Peak: 1.80-1.90 Å; Lysozyme-Br-Peak: 1.80-1.90 Å, StyA1-Ta-Peak: 2.47-2.41 Å).
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