4GSY
Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2012-08-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.984, 90.635, 48.409 |
| Unit cell angles | 90.00, 102.99, 90.00 |
Refinement procedure
| Resolution | 36.890 - 1.710 |
| R-factor | 0.1891 |
| Rwork | 0.189 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data scaling software | autoPROC |
| Phasing software | AMoRE |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.890 | 1.790 |
| High resolution limit [Å] | 1.710 | 1.700 |
| Rmerge | 0.058 | 0.415 |
| Number of reflections | 41239 | |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 97.3 | 96.4 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 21-24% PEG 3350, 200 mM Mg2Cl, 100 mM PCPT buffer , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
