1EKK
CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN THE R3 FORM WITH HYDROXYETHYLTHIAZOLE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 1998-11-25 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | H 3 |
Unit cell lengths | 78.040, 78.040, 232.840 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24200 |
RMSD bond length | 0.006 |
RMSD bond angle | 22.040 * |
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] | 10.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.980 | 0.172 |
Total number of observations | 209109 * | |
Number of reflections | 35426 | |
<I/σ(I)> | 17.3 | |
Completeness [%] | 99.0 | 99 |
Redundancy | 5.9 | 3.7 |
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)) |