4BNT
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-29 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.180, 109.152, 145.194 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.100 - 2.300 |
R-factor | 0.19359 |
Rwork | 0.191 |
R-free | 0.23623 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4AFN CHAIN A |
RMSD bond length | 0.015 |
RMSD bond angle | 1.532 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.080 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.090 | 0.480 |
Number of reflections | 38863 | |
<I/σ(I)> | 14.5 | 3.5 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M SODIUM MALONATE, 20% (W/V) PEG3350, 10 MM 2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE, FINAL PROTEIN CONCENTRATION 5MG/ML |