3U3X
Crystal structure of a putative oxidoreductase 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 |
| Collection date | 2011-09-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 257.055, 71.028, 129.002 |
| Unit cell angles | 90.00, 104.68, 90.00 |
Refinement procedure
| Resolution | 46.780 - 2.790 |
| R-factor | 0.20204 |
| Rwork | 0.199 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p2s |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.854 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.790 | 2.800 |
| Rmerge | 0.130 | 0.600 |
| Number of reflections | 55958 | |
| <I/σ(I)> | 6.2 | 2.6 |
| Completeness [%] | 99.3 | 98.4 |
| Redundancy | 6.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M Ammonium acetate, 0.1M Bis-tris pH 5.5, 17% PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
