2BO0
Crystal structure of the C130A mutant of nitrite reductase from Alcaligenes xylosoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 79.048, 79.048, 99.367 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 - 1.350 |
| R-factor | 0.108 |
| R-free | 0.11300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ndt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.010 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.040 | 0.300 |
| Number of reflections | 74824 | |
| <I/σ(I)> | 32.6 | 2.6 |
| Completeness [%] | 96.9 | 90.4 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PEG 550 MME, ZNSO4, MES PH 6.5 |
