1XX6
X-ray structure of Clostridium acetobutylicum thymidine kinase with ADP. Northeast Structural Genomics Target CAR26.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 53.793, 67.166, 103.638 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.490 - 2.000 |
R-factor | 0.241 |
Rwork | 0.241 |
R-free | 0.26600 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.362 | |
Number of reflections | 48667 | |
<I/σ(I)> | 27.3 | 5.1 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Na, K-citrate, P 20% EG3350, 2 mM ATP, 2 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |