2J87
Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-10 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 31 |
| Unit cell lengths | 63.331, 63.331, 166.412 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.100 |
| R-factor | 0.258 |
| Rwork | 0.257 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w4r |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.426 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.150 | 0.490 |
| Number of reflections | 13636 | |
| <I/σ(I)> | 8.5 | 2.3 |
| Completeness [%] | 94.8 | 87.9 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 2-7% POLYETHYLENE GLYCOL 3350, 5MM MGSO4 AND 50MM MES PH6.5, pH 6.50 |
