4H15
Crystal Structure of a short chain alcohol dehydrogenase-related dehydrogenase (target ID NYSGRC-011812) from Sinorhizobium meliloti 1021 in space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-06-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.304, 119.143, 67.156 |
| Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
| Resolution | 27.787 - 1.450 |
| R-factor | 0.1505 |
| Rwork | 0.150 |
| R-free | 0.16720 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.161 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
| Rmerge | 0.030 | 0.017 | 0.148 |
| Number of reflections | 170863 | ||
| <I/σ(I)> | 27.5 | ||
| Completeness [%] | 96.2 | 84.1 | 93.8 |
| Redundancy | 2.1 | 2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Calcium Chloride 0.1 M Bis-Tris:HCl, 45% (v/v) MPD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
