4BNZ
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.930, 108.200, 147.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.20298 |
| Rwork | 0.200 |
| R-free | 0.25896 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.474 |
| 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] | 29.980 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 30622 | |
| <I/σ(I)> | 9.7 | 2.6 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES PH 7.0, 1.1 M SODIUM MALONATE, 0.5% (V/V) JEFFAMINE ED-2001, 1 MM 1-METHYL-N-PHENYLINDOLE-3-CARBOXAMIDE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
