4J6F
Crystal structure of putative alcohol dehydrogenase from Sinorhizobium meliloti 1021, NYSGRC-Target 012230
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 | 2012-07-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.115, 95.666, 134.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 2.800 |
| R-factor | 0.1572 |
| Rwork | 0.155 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eih |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| 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 | 0.121 | 0.038 | 0.669 |
| Number of reflections | 27650 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 95.4 | 88.7 | 97.7 |
| Redundancy | 4.2 | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES, pH 7.5, 3.0M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
