4OQL
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
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 | 2011-10-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.385, 116.419, 108.118 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.400 - 2.100 |
| R-factor | 0.1802 |
| Rwork | 0.178 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.070 |
| 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] | 27.420 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.093 | 0.367 |
| Number of reflections | 41988 | |
| <I/σ(I)> | 13.5 | 3.9 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 0.9-1.2M LI2SO4, 1MM DTT, 0.1M HEPES PH 7.5-8.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
