3KEG
X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97650 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.810, 82.810, 108.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.405 - 2.100 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v9c |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER (1.3.1) |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.405 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.474 | |
| Total number of observations | 180642 | |
| Number of reflections | 25785 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M sodium acetate pH 4.5, 1.0M di-ammonium hydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
