4JJI
Crystal structure of S-nitrosoglutathione reductase from Arabidopsis thalina, complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.619, 92.619, 173.171 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.100 - 1.800 |
| R-factor | 0.18523 |
| Rwork | 0.183 |
| R-free | 0.22348 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3uko |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.960 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 94781 | |
| <I/σ(I)> | 10.2 | 3.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.1 M ammonium sulfate, 100 mM Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
