2JFC
M144L mutant of Nitrite Reductase from Alcaligenes xylosoxidans in space group P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 171.958, 175.910, 181.056 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.700 - 2.400 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bo0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.242 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 213297 | |
| <I/σ(I)> | 16.7 | 2.2 |
| Completeness [%] | 98.5 | 71 |
| Redundancy | 5.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | pH 4.20 |
