Table 1. Summary of crystal parameters, data collection and refinement statistics for YP_749275.1 and YP_001095227.1.
Values in parentheses are for the highest resolution shell.
| Protein (PDB code) | YP_749275.1 (2ook) | YP_001095227.1 (2q3l) | ||||
|---|---|---|---|---|---|---|
| Space group | C2 | C2221 | ||||
| Unit-cell parameters (Å, °) | a = 80.58, b = 40.418, c = 78.05, β = 92.2 | a = 40.39, b = 113.96, c = 130.69 | ||||
| Data collection | λ1 Se | λ2 Se | λ3 Se | λ1 Se | λ2 Se | λ3 Se |
| Wavelength (Å) | 0.9184 | 0.9791 | 0.9788 | 0.9184 | 0.9793 | 0.9790 |
| Resolution range (Å) | 28.6–1.80 (1.85–1.80) | 28.6–1.80 (1.85–1.80) | 28.6–1.85 (1.90–1.85) | 28.7–2.25 (2.31–2.25) | 28.7–2.25 (2.31–2.25) | 28.7–2.25 (2.31–2.25) |
| No. of observations | 85996 (6294) | 85818 (6269) | 79298 (5823) | 104546 (7445) | 104441 (7352) | 105302 (7527) |
| No. of unique reflections | 22625 (1640) | 22618 (1639) | 20914 (1518) | 14575 (1060) | 14580 (1043) | 14628 (1053) |
| Completeness (%) | 96.5 (95.3) | 96.5 (95.0) | 96.5 (95.7) | 99.0 (100.0) | 98.9 (100.0) | 98.9 (100.0) |
| Mean I/σ(I) | 13.6 (2.1) | 13.3 (1.7) | 13.1 (1.9) | 17.8 (3.6) | 17.2 (3.1) | 16.4 (2.8) |
| Rmerge on I† | 0.056 (0.653) | 0.056 (0.763) | 0.059 (0.672) | 0.067 (0.467) | 0.071 (0.546) | 0.075 (0.629) |
| Rmeas on I‡ | 0.065 (0.758) | 0.066 (0.886) | 0.069 (0.781) | 0.072 (0.504) | 0.077 (0.588) | 0.081 (0.678) |
| Model and refinement statistics | ||||||
| Data set used in refinement | λ1 MAD Se | λ1 MAD Se | ||||
| Cutoff criterion | |F| > 0 | |F| > 0 | ||||
| Rcryst§ | 0.183 | 0.181 | ||||
| Rfree¶ | 0.233 | 0.239 | ||||
| Resolution range (Å) | 28.6–1.80 | 28.7–2.25 | ||||
| No. of reflections (total) | 22625 | 14570 | ||||
| No. of reflections (test set) | 1162 | 754 | ||||
| Completeness (%) | 96.5 | 98.8 | ||||
| Stereochemical parameters | ||||||
| Restraints (r.m.s.d. observed) | ||||||
| Bond lengths (Å) | 0.012 | 0.017 | ||||
| Bond angles (°) | 1.53 | 1.76 | ||||
| Average isotropic B value (Å2) | 35.4 | 51.3 | ||||
| ESU†† based on Rfree value (Å) | 0.141 | 0.216 | ||||
| Protein residues/atoms | 247/2026 | 248/1962 | ||||
| Water molecules/other solvent molecules | 224/6 | 95/13 | ||||
†
R
merge = 
.
‡
R
meas = 
(Diederichs & Karplus, 1997 ▶).
§
R
cryst = 
, where F
calc and F
obs are the calculated and observed structure-factor amplitudes, respectively.