2XX0
STRUCTURE OF THE N90S-H254F MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-07 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 |
| Unit cell lengths | 89.246, 89.246, 288.271 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.000 - 1.460 |
| R-factor | 0.12641 |
| Rwork | 0.125 |
| R-free | 0.15054 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JL3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.797 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.090 | 0.700 |
| Number of reflections | 146766 | |
| <I/σ(I)> | 13 | 1.7 |
| Completeness [%] | 99.1 | 91 |
| Redundancy | 4.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | ZNSO4, PEG 550 MME, MES PH 6.5 |
