2WVJ
Mutation of Thr163 to Ser in Human Thymidine Kinase Shifts the Specificity from Thymidine towards the Nucleoside Analogue Azidothymidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-23 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.902, 123.252, 121.024 |
| Unit cell angles | 90.00, 132.98, 90.00 |
Refinement procedure
| Resolution | 49.814 - 2.200 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xbt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.215 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.390 | 2.220 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 85203 | |
| <I/σ(I)> | 10.56 | 3.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | HANGING DROPS WITH EQUAL AMOUNTS OF PROTEIN, 10 MG PER ML CONTAINING 5 MM TTP AND TRAY SOLUTION COMPOSED OF SODIUM CITRATE PH 5.6, 2-PROPANOL AND PEG 4000. |
