1OE2
Atomic Resolution Structure of D92E 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 | 2001-02-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 78.700, 78.700, 98.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.000 - 1.120 |
| R-factor | 0.1629 |
| R-free | 0.12700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hau |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 0.029 |
| 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] | 20.000 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.049 | 0.360 |
| Total number of observations | 955982 * | |
| Number of reflections | 133004 | 6604 * |
| <I/σ(I)> | 23.7 | 3.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.1 * | 21 * | 0.1M MES PH6.5 40-50% PEG-MME 550, 10MM CUSO4,, pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG550 MME | 35 (%(w/v)) | |
| 2 | 1 | reservoir | 10 (mM) | ||
| 3 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 10 (mM) | pH7.1 |
