Table 1. Data collection, model and map statistics.
CypA | AP | WrpA | |
---|---|---|---|
Data-collection and Bragg statistics† | |||
Space group | P212121 | P6322 | P4222 |
Unit-cell parameters | |||
a, b, c (Å) | 42.9, 52.4, 89.1 | 161.3, 161.3, 139.4 | 61.3, 61.3, 128.7 |
α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 120.0 | 90.0, 90.0, 90.0 |
Wavelength (Å) | 0.9795 | 0.9795 | 0.9787 |
Oscillation range (°) | 0.5 | 0.15 | 1.0 |
Data-collection temperature (K) | 273 | 100 | 100 |
Beam divergence SD (°) | 0.0417 | 0.0285 | 0.0339 |
Mosaicity (°) | 0.106 | 0.136 | 0.197 |
Resolution range (Å) | 44.57–1.20 (1.24–1.20) | 49.36–2.00 (2.07–2.00) | 44.38–2.51 (2.60–2.51) |
Multiplicity | 5.8 (4.8) | 6.3 (6.5) | 12.7 (12.7) |
Completeness (%) | 93.6 (85.8) | 94.0 (92.7) | 99.6 (98.5) |
〈I/σ(I)〉 | 11.3 (3.9) | 26.2 (3.6) | 25.5 (4.6) |
R merge | 0.113 (0.504) | 0.045 (0.348) | 0.061 (0.520) |
R meas | 0.123 (0.564) | 0.049 (0.375) | 0.063 (0.542) |
CC1/2 | 0.989 (0.872) | 1.000 (0.972) | 0.999 (0.962) |
Wilson B (Å2) | 16.1 | 31.4 | 64.7 |
Detector | PILATUS 6M | PILATUS 6M | MAR Mosaic 300 |
SBGrid ID | 68 | 456 | 203 |
Structure-refinement statistics | |||
Resolution range (Å) | 44.57–1.20 | 49.36–2.00 | 44.37–2.50 |
No. of non-H atoms | 1419 | 6731 | 1237 |
Average B factor (Å2) | 21.4 | 46.2 | 77.0 |
Solvent content (%) | 56 | 62 | 52 |
R work/R free | 0.169/0.177 | 0.192/0.231 | 0.235/0.277 |
Diffuse scattering statistics | |||
Resolution range (Å) | 93.4–1.5 | 75.2–2.5 | 69.3–2.1 |
CCFriedel pairs ‡ | 0.979 (0.623) | 0.954 (0.695) | 0.988 (0.689) |
CCunsym, Friedel-sym ‡ § | 0.996 (0.915) | 0.994 (0.957) | 0.997 (0.930) |
CCunsym, Laue-sym ‡ § | 0.993 (0.862) | 0.984 (0.887) | 0.994 (0.827) |
Completeness (%) | 98.7 | 96.1 | 100.0 |
Values in parentheses are for the highest resolution shell.
For values in parentheses, the average radial intensity was subtracted prior to applying symmetry operations.
Correlation coefficient between the unsymmetrized map and the map after applying the indicated symmetry operations.