2JIO
A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 106.188, 106.188, 135.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.060 - 2.200 |
| R-factor | 0.153 |
| Rwork | 0.150 |
| R-free | 0.20900 |
| Structure solution method | SAD |
| Starting model (for MR) | 2nap |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.620 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.160 | 1.210 |
| Number of reflections | 45024 | |
| <I/σ(I)> | 27.1 | 3.3 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 34.5 | 35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1M MES, PH 6.0, 6% PEG 8000 AS PURIFIED PROTEIN ONLY |
