3UHJ
Crystal structure of a probable glycerol dehydrogenase 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 | 2011-10-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.483, 98.996, 104.734 |
| Unit cell angles | 76.94, 83.38, 71.47 |
Refinement procedure
| Resolution | 45.980 - 2.340 |
| R-factor | 0.1999 |
| Rwork | 0.197 |
| R-free | 0.26358 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kq3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.821 |
| 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 | 2.420 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.070 | 0.500 |
| Number of reflections | 121795 | |
| <I/σ(I)> | 8.2 | 2.5 |
| Completeness [%] | 98.3 | 95.8 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2M NACL, 0.1M Bis-tris, 25% PEG 3350, 0.2M NDSB 221, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
