1WAE
Crystal structure of H129V Mutant of Alcaligenes Xylosoxidans Nitrite Reductase
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 |
Collection date | 2001-02-10 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 91.206, 91.206, 145.866 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.010 - 1.950 |
R-factor | 0.202 |
Rwork | 0.201 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ndt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.683 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.050 | 0.400 |
Number of reflections | 35547 | |
<I/σ(I)> | 22 | 2.5 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 100MM MES BUFFER PH 6.5 200MM ZNSO4, 40-50% PEG550 MME |