4B0C
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pentylthio)-4H-1,2,4-triazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-17 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.930, 141.700, 78.910 |
Unit cell angles | 90.00, 115.67, 90.00 |
Refinement procedure
Resolution | 35.230 - 2.700 |
R-factor | 0.20643 |
Rwork | 0.205 |
R-free | 0.23201 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fq9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.230 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.040 | 0.710 |
Number of reflections | 31096 | |
<I/σ(I)> | 16.8 | 2.2 |
Completeness [%] | 99.2 | 99.6 |
Redundancy | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | PEG MME 5000 13 %, 100 MM SODIUM CITRATE PH 4.5, LITHIUM SULPHATE 0.09 M |