1E2J
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-11-24 |
| Detector | MULTIWIRE SIEMENS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.400, 117.500, 108.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.212 * |
| Rwork | 0.212 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vtk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.022 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.063 | 0.170 |
| Number of reflections | 23273 | |
| <I/σ(I)> | 11.5 | 3.1 |
| Completeness [%] | 92.0 | 92 |
| Redundancy | 2.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 23 * | LITHIUM SULPHATE, HEPES, DTT, DT, pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | 0.9-1.2 (M) | ||
| 3 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 4 | 1 | reservoir | HEPES | 0.1 (M) |
