1GS7
Crystal structure of H254F mutant of Alcaligenes xylosoxidans Nitrite Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.5 |
Synchrotron site | SRS |
Beamline | PX9.5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-11-15 |
Detector | MARRESEARCH |
Spacegroup name | P 63 |
Unit cell lengths | 78.903, 78.903, 98.423 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.010 - 1.850 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ndt |
RMSD bond length | 0.025 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.059 | 0.331 |
Number of reflections | 29614 | |
<I/σ(I)> | 13.9 | 2.4 |
Completeness [%] | 98.5 | 97.2 |
Redundancy | 8.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 40-50% PEG-MME 550, 10MM ZNSO4, 0.1M MES PH6.5, pH 6.50 |