4BNV
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-chlorophenyl)-3-(1- methylbenzimidazol-2-yl)urea at 2.5A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.860, 108.070, 146.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.940 - 2.500 |
| R-factor | 0.20685 |
| Rwork | 0.204 |
| R-free | 0.25697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4BNT CHAIN A |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.379 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.920 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.560 |
| Number of reflections | 30064 | |
| <I/σ(I)> | 9.4 | 2.6 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M BIS-TRIS PROPANE PH 7.5, 0.2 M SODIUM MALONATE, 20% (W/V) PEG3350, 1 MM 1-(2-CHLOROPHENYL)-3-(1-METHYLBENZIMIDAZOL-2-YL)UREA, FINAL PROTEIN CONCENTRATION 3.3 MG/ML |
