6YUR
Crystal structure of S. aureus FabI inhibited by SKTS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.349, 94.560, 94.781 |
| Unit cell angles | 98.47, 111.71, 97.42 |
Refinement procedure
| Resolution | 49.550 - 1.960 |
| R-factor | 0.23118 |
| Rwork | 0.230 |
| R-free | 0.25956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.822 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.138 | |
| Number of reflections | 185831 | 9361 |
| <I/σ(I)> | 4.7 | 0.4 |
| Completeness [%] | 91.6 | 93.2 |
| Redundancy | 3.7 | 3.8 |
| CC(1/2) | 0.994 | 0.345 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Na/K-PO4, pH 6.5, 35 % MPD |
