From: Structural basis of stereospecific reduction by quinuclidinone reductase
Data collection | |
---|---|
X-ray source | PF BL-5A |
Wavelength (Å) | 1.0000 |
Space group | P 41212 |
Unit-cell parameters (Å) | a = b = 91.3, c = 265.4 |
Resolution (Å)a | 20.0-2.20 (2.28-2.20) |
Observed reflections | 689047 |
Unique reflections | 55949 |
Completeness (%)a | 96.5 (81.0) |
R merge (%)a,b | 9.2 (23.9) |
<I>/<σ(I) > a | 55.6 (11.4) |
Refinement | |
Resolution range (Å) | 20.0-2.20 |
Rfactor(%)c | 19.2 |
Rfree(%)d | 23.0 |
Protein atoms | 8020 |
NADPH atoms | 192 |
Water molecules | 302 |
r.m.s deviaton from ideal | |
Bond lengths (Å) | 0.011 |
Bond angles (deg.) | 1.43 |
Ramachandran plote | |
Most favored regions (%) | 91.7 |
Allowed regions (%) | 8.3 |