Table 2 Data collection and refinement statistics for AglΔDCD-UCD (PDBID: 5ZRU).
From: Crystal structure of the catalytic unit of GH 87-type α-1,3-glucanase Agl-KA from Bacillus circulans
Space group | Native | SeMet | ||
|---|---|---|---|---|
P21 | P21 | |||
Data collection statistics | ||||
Cell parameters | a = 57.25 | |||
b = 126.42 | ||||
c = 80.54 | ||||
γ = 97.83 | ||||
Beamline | PF-BL5A | PF-BL5A | ||
Peak | Edge | Remote | ||
Wavelength(Å) | 1.0000 | 0.97911 | 0.97922 | 0.9640 |
Resolution (Å)a) | 20.0–1.83 (1.86-1.83) | 49.7–2.00 (2.12-2.00) | ||
Completeness (%) | 99.4 (95.5) | 99.8 (99.3) | 99.5 (98.5) | 99.5 (98.5) |
I/σ (I) | 13.29 (3.00) | 8.15 (2.24) | 5.46 (1.36) | 5.30 (1.35) |
Rmerge b) | 0.050(0.347) | 0.206 (0.856) | 0.204 (0.886) | 0.212 (0.897) |
Average redundancy | 3.4 (3.4) | 7.0 (7.0) | 3.49 (3.47) | 3.49 (3.48) |
Refinement statistics | ||||
Resolution range (Å) | 19.9–1.83 | |||
Reflections used (free) | 98636 (4962) | |||
R factor c) | 0.141 | |||
Rfree d) | 0.171 | |||
RMS deviations | ||||
Bonds (Å) | 0.006 | |||
Angles (°) | 0.846 | |||
Average B factor (Å2) | 15.0 | |||
Ramachandran plot statistics | ||||
Most favoured (%) | 96 | |||
Generously allowed (%) | 4 | |||
Disallowed (%) | 0 | |||
