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 |