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 |