4JBY
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-10 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.166, 116.569, 108.309 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.077 - 2.000 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.080 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.086 | 0.485 |
| Number of reflections | 47484 | |
| <I/σ(I)> | 11.9 | 2.7 |
| Completeness [%] | 97.8 | 92.7 |
| Redundancy | 4.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 0.9-1.2 M lithium sulfate, 1 mM DTT, 0.1 M HEPES, pH 7.5-8.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
