4EDH
The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.597, 46.807, 53.101 |
| Unit cell angles | 94.98, 112.33, 105.83 |
Refinement procedure
| Resolution | 25.588 - 1.320 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.18870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5u |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.206 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.600 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.050 | 0.524 |
| Number of reflections | 84807 | |
| <I/σ(I)> | 26.3 | 1.7 |
| Completeness [%] | 94.7 | 91.8 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Ammonium Sulfate, 0.1M Tris:HCl, 20% (w/v) PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
