1VTK
THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE 1 IN COMPLEX WITH ADP AND DEOXYTHYMIDINE-MONOPHOSPHATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 293 |
| Collection date | 1995-03 |
| Spacegroup name | I 41 |
| Unit cell lengths | 83.400, 83.400, 156.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.750 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.23600 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.092 * | 0.412 * |
| Total number of observations | 28046 * | |
| Number of reflections | 12164 | |
| <I/σ(I)> | 17.7 | 5.7 |
| Completeness [%] | 89.5 | 91.2 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.5 | 4 * | Wild, K., (1995) FEBS Lett., 368, 289. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MOPS | 5 (mM) | |
| 10 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 11 | 1 | reservoir | thymidine | 0.05 (mM) | |
| 12 | 1 | reservoir | PEG8000 | 15-20 (%) | |
| 13 | 1 | reservoir | 0.02 (%) | ||
| 2 | 1 | drop | EDTA | 0.5 (mM) | |
| 3 | 1 | drop | dithiothreitol | 1.5 (mM) | |
| 4 | 1 | drop | thymidine | 0.05 (mM) | |
| 5 | 1 | drop | protain | 20 (mg/ml) | |
| 6 | 1 | drop | potassium phosphate | 20-25 (mM) | |
| 7 | 1 | drop | PEG8000 | 7.5-10 (%) | |
| 8 | 1 | drop | 0.01 (%) | ||
| 9 | 1 | reservoir | potassium phosphate | 40-50 (mM) |
