Table 1. X-ray data collection and model refinement statistics.
| Data Collection | |
| Crystal size (mm) | 0.7×0.05×0.05 |
| Space group | P212121 |
| Unit cell parameters (Å) | a = 27.27, b = 31.24, c = 35.74 |
| X-ray source | BESSY 14.1 |
| Temperature (K) | 100 |
| No. of images | 360a/180/52 |
| Oscillation angle (°) | 1.0a/2.0/1.0 |
| Wavelength (Å) | 0.91841a/0.80000/0.80000 |
| Resolution (Å) | 20.00–0.98 (1.01–0.98)b |
| R int c(%) | 7.2 (46.0) |
| <I/σI> | 22.52 (2.04) |
| Reflections | |
| measured | 222092 |
| unique | 17179 |
| in test set | 1031 |
| Mosaicity (°) | 0.13 |
| Completeness (%) | 94.8 (84.5) |
| Redundancy | 12.9 (2.3) |
| Wilson B-factor (Å2) | 8.2 |
| Refinement | |
| Resolution (Å) | 20.00–0.98 (1.02–0.98) |
| No. reflections | 17179 (1790) |
| R work/R free d | 10.57/12.91 |
| No. of atoms | |
| protein | 328 |
| solvent | 96 |
| B-factors (Å2) | |
| protein | 6.5 |
| solvent | 12.1 |
| Rmsd from ideal | |
| bond lengths (Å) | 0.023 |
| angle distances (Å) | 0.058 |
| Ramachandran statistics (%) | |
| favored | 90.6 |
| additional | 9.4 |
| PDB code | 4hgu |
a
Values for crystal no. 1.
b
Values in parentheses are for the highest resolution shell.
c
R int = ΣhklΣi|Ii(hkl)−<I(hkl)>|/ΣhklΣi I i(hkl), where I i(hkl) is the ith measurement of the intensity of reflection hkl and <I(hkl)> is the mean intensity of reflection hkl.
d
R = Σ||F o|−|F c||/Σ|F o|, where F o and F c are the observed and calculated structure factor amplitudes, respectively.