6KVS
Staphylococcus aureus FabH with covalent inhibitor Oxa1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-19 |
| Detector | RIGAKU HyPic-6000HE |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.754, 91.573, 109.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.140 - 2.300 |
| R-factor | 0.2016 |
| Rwork | 0.198 |
| R-free | 0.26150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zow |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.400 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 | 0.344 |
| Number of reflections | 29342 | 2936 |
| <I/σ(I)> | 14.39 | |
| Completeness [%] | 98.6 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG 4000 sodium citrate ammoinium acetate |
