Table 1 Crystallographic data collection, phasing, and refinement statistics
From: Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA
IncA87–246 | (IncA87–246)NaI | IncA87–246(G144A) | |
|---|---|---|---|
Data collection | |||
X-ray source | SSRL 9–2 | MicroMax-007 HF | MicroMax-007 HF |
Detector | Pilatus 6M PAD | Pilatus3 R 200K | Pilatus3 R 200K |
Space group | P21 | P21 | P1 |
Cell dimensions | |||
a, b, c (Å) | 38.4, 48.8, 41.7 | 38.4, 48.7, 41.7 | 41.0, 43.5, 45.8 |
α, β, γ (°) | 90.0, 103.7, 90.0 | 90.0, 103.8, 90.0 | 92.9, 95.9, 93.9 |
Wavelength (Å) | 0.98 | 1.54 | 1.54 |
Resolution (Å) | 15–1.12 (1.16–1.12) | 15–1.80 (1.83–1.80) | 15–1.95 (2.02–1.95) |
No. reflections (tot/unique) | 875,396/ 52,606 | 1,788,976/ 13,917 | 282,344/ 20,042 |
R sym | 5.5 (29.8) | 7.6 (22.4) | 4.8 (13.1) |
R pim | 2.3 (14.8) | 1.9 (2.2) | 4.8 (13.0) |
MeanI / σI | 47.9 (4.7) | 104.5 (23.9) | 20.4 (5.8) |
CC1/2 | 0.963 | 0.997 | 0.950 |
Completeness (%) | 91.3 (55.0) | 99.5 (99.4) | 88.1 (66.3) |
Redundancy | 7.3 (4.5) | 16.0 (12.4) | 1.5 (1.5) |
Wilson B-factor (Å2) | 10.8 | 13.3 | 13.4 |
SAD phasing | |||
Number Iodine sites | 16 | ||
FOM | 0.37 | ||
Corr. of local RMS density | 0.61 | ||
Refinement | |||
PDB ID | 6E7E | 6E6A | |
Resolution (Å) | 15–1.12 | 15–1.95 | |
No. reflections | 50,533 | 20,013 | |
Rwork/Rfreea | 14.1/16.8 | 16.9/21.2 | |
No. of complexes in AU | 1 | 2 | |
No. of protein atoms | 1375 | 2650 | |
Ramachandran (favored/allowed/outliers) | 100/0.0/0.0 | 99.7/0.3/0.0 | |
R.M.S.D. from ideality | |||
Bond lengths (Å) | 0.012 | 0.005 | |
Bond angles (°) | 1.649 | 0.860 | |
MolProbity Score/rankingb | 1.15/94th percentile | 1.24/99th percentile | |
MolProbity ClashScore/ rankingb | 3.65/5th percentile | 4.71/98th percentile | |
