4BO0
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-29 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.323, 108.730, 148.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.720 - 2.400 |
R-factor | 0.25712 |
Rwork | 0.255 |
R-free | 0.29653 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bnw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.361 |
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] | 29.730 | 2.510 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.070 | 0.540 |
Number of reflections | 35336 | |
<I/σ(I)> | 14.7 | 3.2 |
Completeness [%] | 98.8 | 99.3 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.24 M SODIUM MALONATE PH 7.0, 20% (W/V) PEG3350, 1MM 1-(4-METHOXY-1-METHYLINDAZOL-3-YL)-3-(2-METHOXYPHENYL)UREA, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |