1QNI
Crystal Structure of Nitrous Oxide Reductase from Pseudomonas nautica, at 2.4A Resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8850, 1.3751, 1.3793 |
| Spacegroup name | P 61 |
| Unit cell lengths | 211.290, 211.290, 166.457 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.2277 |
| Rwork | 0.228 |
| R-free | 0.26100 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | CNS (0.9) |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.057 | 0.236 |
| Number of reflections | 92030 | |
| <I/σ(I)> | 7.3 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.6 * | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 18 (%) | |
| 4 | 1 | reservoir | Bicine | 0.1 (M) | |
| 5 | 1 | reservoir | 0.6 (M) | ||
| 6 | 1 | reservoir | isopropano; | 15 (%) | |
| 7 | 1 | reservoir | spermine-HCl | 10 (mM) |
