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)) |
