2X3F
Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.194, 86.560, 141.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.590 - 1.950 |
| R-factor | 0.2021 |
| Rwork | 0.200 |
| R-free | 0.23752 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v8f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.237 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0090) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.590 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.050 | 0.280 |
| Number of reflections | 39073 | |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 11.2 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 10% PEG 8000, 0.1M NA MES PH6.5, 0.2M ZN ACETATE WITH 11.5MGML-1 AMP-CPP. THE CRYSTALS WERE CRYOPROTECTED WITH OIL. |
