3W7A
Crystal Structure of azoreductase AzrC fin complex with sulfone-modified azo dye Acid Red 88
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 | 2009-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.982, 56.618, 105.518 |
| Unit cell angles | 90.00, 115.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.2015 |
| Rwork | 0.199 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w77 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.579 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.171 | 0.081 | 0.497 |
| Number of reflections | 59046 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 98.9 | 99.8 | 94.8 |
| Redundancy | 5.1 | 5.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 600, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
