Table 1. Crystallographic statistics.
Data collection | Native |
---|---|
X-ray source | Synchrotron (PAL 5C) |
Detector | ADSC Quantum 315r |
Wavelength | 0.97760 |
Space group | P212121 |
Cell dimensions | |
a, b, c | 75.3 Å, 79.4 Å, 108.0 Å |
Resolution | 50–2.8 Å |
Wilson B-factor | 58.57 Å2 |
†No.of unique reflections overall | 15,860 (729) |
†Rsym | 6% (19%) |
†I/σI | 31.2 (4.4) |
†Completeness | 94.7% (91.8%) |
†Redundancy | 5.0 (3.3) |
Refinement | |
Resolution | 30–2.8 Å |
No. of reflections used (completeness) | 15,792 (94.8%) |
No. of non-H protein atoms | 4,599 |
No. of water molecules | 13 |
No. of ions | 0 |
†Rwork | 21.0% (26.8%) |
†Rfree | 26.2% (29.1%) |
Average B-factors | |
Protein | 52.1 Å2 |
Water and other small molecules | 42.4 Å2 |
r.m.s. deviations | |
B-factor for bonded atoms | 8.86 |
Bond lengths | 0.011 Å |
Bond angles | 1.442° |
MolProbity analysis | |
Ramachandran outliers | 0.00% |
Ramachandran favoured | 95.35% |
Ramachandran allowed | 4.65% |
Rotamer outliers | 0.39% |
C-beta deviations | 0 |
Clashscore | 16.41 |
†Highest resolution shell is shown in parenthesis.