1EKQ
CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN R3 SPACE GROUP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 1996-04-14 |
Detector | ADSC QUANTUM 1 |
Spacegroup name | H 3 |
Unit cell lengths | 77.500, 77.500, 230.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
Rwork | 0.216 |
R-free | 0.25100 |
RMSD bond length | 0.009 |
RMSD bond angle | 23.340 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.570 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.071 | 0.158 |
Total number of observations | 264643 * | |
Number of reflections | 73978 | |
<I/σ(I)> | 15 | |
Completeness [%] | 89.0 | 55 |
Redundancy | 3.6 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 100 (mM) | |
4 | 1 | reservoir | PEG4000 | 30 (%(w/v)) |