1OE1
Atomic Resolution Structure of the Wildtype Native Nitrite Reductase from Alcaligenes xylosoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 78.725, 78.725, 98.885 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.000 - 1.040 |
| R-factor | 0.1193 |
| R-free | 0.13000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hau |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 0.032 |
| 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] | 60.000 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.075 | 0.333 * |
| Total number of observations | 1766001 * | |
| Number of reflections | 167110 | 7735 * |
| <I/σ(I)> | 19.1 | 2.3 |
| Completeness [%] | 96.6 | 93.1 |
| Redundancy | 10.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.1 * | 21 * | 40-50% PEG-MME 550, 0.1M MES PH 6.5, 10MM CUSO4 |
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 |
