4OQX
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-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 | 113.420, 116.830, 108.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.871 - 2.500 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.207 |
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] | 34.900 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.115 | 0.471 |
Number of reflections | 24367 | |
<I/σ(I)> | 12.2 | 3.3 |
Completeness [%] | 96.8 | 93.9 |
Redundancy | 6.4 | 5.8 |
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 |