1OSN
Crystal structure of Varicella zoster virus thymidine kinase in complex with BVDU-MP and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.700, 54.200, 167.800 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 3.200 |
| Rwork | 0.235 |
| R-free | 0.26700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HSV-1 TK (1e2k) |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.320 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.171 | 0.428 |
| Total number of observations | 167134 * | |
| Number of reflections | 30040 * | 2925 * |
| <I/σ(I)> | 4.5 | 1.1 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.6 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 * | 21 * | PEG 20000, sodium acetate, ATP, BVDU, MgCl2, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | ATP | 0.4 (mM) | |
| 3 | 1 | drop | BVDU | 0.2 (mM) | |
| 4 | 1 | drop | 0.6 (mM) | ||
| 5 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.5 or 5.0 |
| 6 | 1 | reservoir | PEG20000 | 6-11 (%(w/v)) |
