4HUR
Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.910, 184.545, 98.997 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.185 - 2.150 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4E8L |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.382 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 54946 | |
| <I/σ(I)> | 19 | 2.13 |
| Completeness [%] | 98.2 | 94 |
| Redundancy | 5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2 M ammonium sulphate, 0.1 M HEPES pH 7.5, 2% PEG 400, 10 mM AcCoA, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
