4BO5
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A 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 | 54.150, 108.710, 146.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.140 - 2.600 |
| R-factor | 0.20451 |
| Rwork | 0.202 |
| R-free | 0.24791 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.407 |
| 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] | 37.110 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.120 | 0.540 |
| Number of reflections | 27278 | |
| <I/σ(I)> | 7.3 | 2.5 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M BIS-TRIS PH 5.5, 0.1 M AMMONIUM ACETATE, 17% (W/V) PEG10000, 1MM N-(2-CHLOROPHENYL)- 4-PYRROL-1-YL-1,3,5-TRIAZIN-2-AMINE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
