1QXW
Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-11-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.57 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.993, 76.843, 41.935 |
| Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.670 |
| R-factor | 0.15945 |
| Rwork | 0.158 |
| R-free | 0.18500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.082 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.770 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.033 * | 0.117 * |
| Number of reflections | 29278 | |
| <I/σ(I)> | 28 | 8.6 |
| Completeness [%] | 99.0 | 96.7 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 * | 294 | Oefner, C., (2003) J. Mol. Biol., 332, 13. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 12 (mg/ml) | |
| 2 | 1 | 1 | HEPES | 50 (mM) | pH7.5 |
| 3 | 1 | 1 | 150 (mM) | ||
| 4 | 1 | 1 | glycerol | 5 (%) | |
| 5 | 1 | 1 | TCEP | 1 (mM) |
