2XX1
STRUCTURE OF THE N90S MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite
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 | 2010-09-05 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 172.670, 174.650, 180.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.990 - 3.000 |
| R-factor | 0.18677 |
| Rwork | 0.185 |
| R-free | 0.22116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JL0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.369 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.700 | 3.170 |
| High resolution limit [Å] | 2.990 | 3.000 |
| Rmerge | 0.080 | 0.860 |
| Number of reflections | 109627 | |
| <I/σ(I)> | 20.35 | 2.54 |
| Completeness [%] | 99.3 | 98.3 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1.8 M AMMONIUM SULPHATE IN CITRATE BUFFER, PH 4.6 |
