1XBT
Crystal Structure of Human Thymidine Kinase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.672, 123.177, 116.000 |
Unit cell angles | 90.00, 130.20, 90.00 |
Refinement procedure
Resolution | 42.070 - 2.400 |
R-factor | 0.20288 |
Rwork | 0.201 |
R-free | 0.23204 |
Structure solution method | SIRAS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.259 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.700 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 77566 | |
<I/σ(I)> | 4.9 | 1.5 |
Completeness [%] | 28.4 | 98.6 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 288 | sodium citrate, 2-propanol, PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 288.0K |