3V8B
Crystal Structure of a 3-ketoacyl-ACP reductase 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 | 2011-11-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 114.787, 143.916, 66.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.920 - 2.700 |
| R-factor | 0.19026 |
| Rwork | 0.187 |
| R-free | 0.25516 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uvd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.674 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.163 | 0.647 |
| Number of reflections | 31107 | |
| <I/σ(I)> | 7.7 | 1 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 13.4 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Sodium Chloride, 0.1 M Hepes pH 7.5, 25% PEG 3350, 5% Xylitol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
