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 |