3U9L
The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) 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 | 2011-10-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9790 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.632, 106.123, 128.796 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.951 - 2.100 |
R-factor | 0.1869 |
Rwork | 0.184 |
R-free | 0.23590 |
Structure solution method | SAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.684 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.124 | 0.453 |
Number of reflections | 23275 | |
<I/σ(I)> | 8.3 | 8.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.2 M Potassum sodium tartrate tetrahydrate, 0.1 M sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |