3LT5
X-ray Crystallographic structure of a Pseudomonas Aeruginosa Azoreductase in complex with balsalazide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97960 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 83.097, 83.097, 109.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.459 - 2.300 |
| R-factor | 0.157 |
| Rwork | 0.154 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v9c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.972 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.459 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.038 | |
| Total number of observations | 13096 | |
| Number of reflections | 19910 | |
| <I/σ(I)> | 16.2 | 3.6 |
| Completeness [%] | 82.3 | 100 |
| Redundancy | 6.4 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 0.2M Lithium sulfate, 0.1M Tris-HCl pH 8.5, 30% w/v PEG 4000, VAPOR DIFFUSION, temperature 298K |
