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 |
