4BO1
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(4-chloro-2,5- dimethoxyphenyl)quinoline-8-carboxamide at 2.2A 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 QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.110, 109.020, 145.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.160 - 2.200 |
| R-factor | 0.19892 |
| Rwork | 0.197 |
| R-free | 0.23667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.513 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.400 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 43748 | |
| <I/σ(I)> | 6.7 | 2.3 |
| Completeness [%] | 98.5 | 97.2 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M BIS-TRIS PH 5.5, 0.2 M LITHIUM SULFATE, 25% (W/V) PEG3350, 1MM N-(4-CHLORO-2,5- DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
