1E2I
The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
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 |
Detector technology | IMAGE PLATE |
Collection date | 1999-03-12 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 113.000, 116.900, 108.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.222 * |
Rwork | 0.222 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vtk |
RMSD bond length | 0.013 |
RMSD bond angle | 0.026 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.425 |
Number of reflections | 54250 | |
<I/σ(I)> | 12.5 | 2.7 |
Completeness [%] | 96.0 | 96 |
Redundancy | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 | 23 * | LITHIUM SULFATE, HEPES, DTT, 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) |