1OF1
KINETICS AND CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (SOUTH)-METHANOCARBA-THYMIDINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.730, 118.010, 108.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.950 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e2k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.049 | 0.166 |
| Number of reflections | 52523 | |
| Completeness [%] | 99.2 | 99 |
| Redundancy | 5.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.50 |
