3GWE
2.1 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-27 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.670, 87.670, 167.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.980 - 2.100 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gwa |
RMSD bond length | 0.008 |
RMSD bond angle | 1.149 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.980 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.107 | 0.673 |
Number of reflections | 42882 | |
<I/σ(I)> | 17.41 | 2 |
Completeness [%] | 96.8 | 76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 289 | 200mM Citric Acid, 20% PEG 3350 50 mg/ml, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 289K |