2X4K
Crystal structure of SAR1376, a putative 4-oxalocrotonate tautomerase from the methicillin-resistant Staphylococcus aureus (MRSA)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-16 |
| Detector | FUJIFILM |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 50.190, 50.190, 150.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.460 - 1.100 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.19533 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXCDE (SOLVE RESOLVE) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.400 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 19685 | |
| <I/σ(I)> | 22.7 | 4.35 |
| Completeness [%] | 98.7 | 98.3 |
| Redundancy | 11.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 1.49M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 5.0, 0.1M ZINC SULFATE, 25% ETHYLENE GLYCOL. CRYSTAL WAS CRYOPROTECTED DIRECTLY IN THIS SOLUTION WITH AMMONIUM SULPHATE CONCENTRATION OF 1.6M |
