3RDP
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99980 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 114.187, 118.283, 108.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.260 - 2.800 |
| R-factor | 0.2022 |
| Rwork | 0.200 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0t |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.549 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.267 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.218 | 0.636 |
| Number of reflections | 16788 | |
| <I/σ(I)> | 5.94 | 2.3 |
| Completeness [%] | 91.3 | 93 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 0.9-1.2M LI2SO4, 1MM DTT, 0.1M HEPES PH 7.5-8.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
