3TFO
Crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from Sinorhizobium meliloti
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 | 2011-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.551, 108.551, 207.314 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.080 - 2.080 |
| R-factor | 0.17823 |
| Rwork | 0.176 |
| R-free | 0.21858 |
| Structure solution method | SAD |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.413 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.080 | 0.386 |
| Number of reflections | 85345 | |
| <I/σ(I)> | 9 | 5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.5 M Ammonium sulfate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 1M Lithium Sulfate monohydrate, 6% 1-6 hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
