4DNA
CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 112.936, 118.327, 163.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.820 - 2.800 |
| R-factor | 0.21147 |
| Rwork | 0.208 |
| R-free | 0.27187 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o0h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.293 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.118 | 0.060 | 0.725 |
| Number of reflections | 52427 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.0 | 97.3 | 87.5 |
| Redundancy | 3.6 | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.17M ammonium acetate, 0.085M sodium citrate:HCl, pH 5,6, 25.5% PEG4000, 15% glycerol , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
