2B8T
Crystal structure of Thymidine Kinase from U.urealyticum in complex with thymidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.158, 115.649, 64.474 |
| Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
| Resolution | 26.950 - 2.000 |
| R-factor | 0.19741 |
| Rwork | 0.195 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1XMR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.950 | 26.920 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.082 | 0.092 | 0.424 |
| Number of reflections | 54484 | ||
| <I/σ(I)> | 16.4 | 5.8 | 1.8 |
| Completeness [%] | 99.1 | ||
| Redundancy | 5 | 7.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 287 | 15% PEG3350, 0.3 M Ammonium formate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
