3AYG
Crystal structure of nitric oxide reductase complex with HQNO
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2008-02-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 110.516, 149.089, 151.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.600 - 2.700 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.26700 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.600 | 2.870 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.065 | 0.503 |
Number of reflections | 34516 | |
<I/σ(I)> | 29.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 5% ISOPROPANOL, 50MM HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |