4CV0
Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.970, 113.080, 117.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.570 - 2.200 |
| R-factor | 0.2091 |
| Rwork | 0.205 |
| R-free | 0.27713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4alk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.553 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.570 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.130 | 0.470 |
| Number of reflections | 52885 | |
| <I/σ(I)> | 8.7 | 3.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1 M LI2SO4, 20% PEG 3350, pH 8.0 |
