2XX3
HUMAN THYMIDYLATE KINASE COMPLEXED WITH thymidine butenyl phosphonate monophosphate and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.440, 38.320, 73.160 |
| Unit cell angles | 90.00, 123.07, 90.00 |
Refinement procedure
| Resolution | 18.400 - 2.000 |
| R-factor | 0.1911 |
| Rwork | 0.188 |
| R-free | 0.23540 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.000 |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.120 |
| Number of reflections | 16363 |
| <I/σ(I)> | 7.9 |
| Completeness [%] | 95.7 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
