1C3Q
CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-05-07 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.920, 101.180, 73.330 |
| Unit cell angles | 90.00, 95.26, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25100 * |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.300 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.275 |
| Total number of observations | 162565 * | |
| Number of reflections | 51102 * | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 98.0 | 95 * |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.6 | 18 * | 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 | drop | Thz | 0.05 (mM) | |
| 3 | 1 | drop | ATP | 0.05 (mM) | |
| 4 | 1 | drop | 0.1 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 20 (%(w/v)) |
