7BK9
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00078426
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-21 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.640, 143.500, 77.780 |
Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
Resolution | 66.080 - 1.940 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.22560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cl6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.681 |
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] | 66.080 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.068 | |
Number of reflections | 83719 | 4174 |
<I/σ(I)> | 10.6 | 1 |
Completeness [%] | 99.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.998 | 0.456 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | PEG 4000, Ammonium sulfate, sodium citrate |