1GS6
Crystal structure of M144A 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] | 294 |
Detector technology | CCD |
Collection date | 1999-10-15 |
Detector | ADSC CCD |
Spacegroup name | P 63 |
Unit cell lengths | 106.860, 106.860, 64.026 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.000 - 2.200 |
R-factor | 0.15 |
Rwork | 0.148 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDN ENTRY 1NDT |
RMSD bond length | 0.033 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.097 | 0.320 |
Number of reflections | 27656 | |
<I/σ(I)> | 11.2 | 2.4 |
Completeness [%] | 99.4 | 99.4 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 30% PEG 4000, 0.1M MGCL2, 0.1M TRIS-HCL PH8.5, TEMP GRADIENT 4-32 DEGREES C, pH 8.50 |