7BHJ
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.420, 142.200, 78.430 |
Unit cell angles | 90.00, 114.68, 90.00 |
Refinement procedure
Resolution | 66.500 - 2.110 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cl6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.570 |
Data reduction software | XDS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.500 | 2.150 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.064 | 1.298 |
Number of reflections | 65125 | 3225 |
<I/σ(I)> | 10.68 | |
Completeness [%] | 99.6 | |
Redundancy | 4.05 | |
CC(1/2) | 0.998 | 0.446 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | PEG 8000, Magnesium chloride, Tris-HcL |