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 |