4H16
Crystal Structure of a short chain alcohol dehydrogenase-related dehydrogenase (target ID NYSGRC-011812) from Sinorhizobium meliloti 1021 in space group P6422
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-06-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 129.200, 129.200, 103.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.294 - 2.000 |
| R-factor | 0.1636 |
| Rwork | 0.163 |
| R-free | 0.17810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB Code: |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.078 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.097 | 0.038 | 0.884 |
| Number of reflections | 65029 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 99.6 | 97.2 | 100 |
| Redundancy | 4.6 | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Magnesium Chloride 0.1 M HEPES:NaOH pH 7.5, and 30% (v/v) PPG P400, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |
