4CSZ
STRUCTURE OF F306C MUTANT OF NITRITE REDUCTASE FROM Achromobacter XYLOSOXIDANS WITH NITRITE BOUND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 89.570, 89.570, 144.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.290 - 1.750 |
| R-factor | 0.17983 |
| Rwork | 0.178 |
| R-free | 0.20993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2csp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.542 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.770 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.660 |
| Number of reflections | 43456 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 15% PEG550 MME, 50 MM ZNSO4, AND 50 MM MES BUFFER, pH 6.5 |
