2BO0
Crystal structure of the C130A mutant of nitrite reductase from Alcaligenes xylosoxidans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 63 |
Unit cell lengths | 79.048, 79.048, 99.367 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 100.000 - 1.350 |
R-factor | 0.108 |
R-free | 0.11300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ndt |
RMSD bond length | 0.012 |
RMSD bond angle | 1.010 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.370 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.040 | 0.300 |
Number of reflections | 74824 | |
<I/σ(I)> | 32.6 | 2.6 |
Completeness [%] | 96.9 | 90.4 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PEG 550 MME, ZNSO4, MES PH 6.5 |