3W77
Crystal Structure of azoreductase AzrA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979121 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.323, 69.589, 105.193 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.240 - 1.660 |
| R-factor | 0.1806 |
| Rwork | 0.178 |
| R-free | 0.21060 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.479 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.720 |
| High resolution limit [Å] | 1.660 | 3.580 | 1.660 |
| Rmerge | 0.078 | 0.050 | 0.476 |
| Number of reflections | 50324 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 99.8 | 99.4 | 99 |
| Redundancy | 6.8 | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | PEG 600, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
