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 |