2VW6
NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS - 3 OF 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 89.099, 89.099, 288.395 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 96.230 - 1.900 |
| R-factor | 0.163 |
| Rwork | 0.162 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 0.160 |
| Number of reflections | 65507 | |
| <I/σ(I)> | 20.6 | 4 |
| Completeness [%] | 97.7 | 81.1 |
| Redundancy | 2.5 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
