1WAE
Crystal structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase
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 |
| Collection date | 2001-02-10 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 91.206, 91.206, 145.866 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.010 - 1.950 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ndt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.683 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 35547 | |
| <I/σ(I)> | 22 | 2.5 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 100MM MES BUFFER PH 6.5 200MM ZNSO4, 40-50% PEG550 MME |
