3QJ5
S-nitrosoglutathione reductase (GSNOR) in complex with N6022
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.858, 78.858, 310.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.090 - 1.900 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21000 |
| Structure solution method | MR |
| Starting model (for MR) | native GSNOR structure |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.259 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 78296 | |
| Completeness [%] | 99.6 | 94.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 19% PEG 8000, 100MM K-PHOSPHATE PH 7.0, 100MM ZNSO4, 1MM DTT, 3% (W/V) BUTANEDIOL, TEMPERATURE 290K, VAPOR DIFFUSION, SITTING DROP |
