1KI3
CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR
Experimental procedure
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.800, 117.700, 108.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.370 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.31400 |
| Structure solution method | MIR + NCS IMPROVEMENT AND SOLVENT FLATTENING FOR ORIGINAL NATIVE, 1KIN |
| RMSD bond length | 0.013 |
| RMSD bond angle | 23.060 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLOMON |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.450 | |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.112 * | |
| Number of reflections | 28282 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 94.5 | 93 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 25 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.0 (mg/ml) | |
| 2 | 1 | drop | Tris-Cl | 40 (mM) | |
| 3 | 1 | drop | dithiothreitol | 3 (mM) | |
| 4 | 1 | drop | deoxythymidine | 0.2 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 30 (%sat) | |
| 6 | 1 | reservoir | Tris-Cl | 200 (mM) | |
| 7 | 1 | reservoir | dithiothreitol | 3 (mM) | |
| 8 | 1 | reservoir | deoxythymidine | 0.2 (mM) |
