6FCK
CHK1 KINASE IN COMPLEX WITH COMPOUND 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-05 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.530, 71.015, 104.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.930 - 1.900 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 24990 | |
<I/σ(I)> | 5.3 | |
Completeness [%] | 99.8 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% Peg8k, 0.1M Caco pH 6.8, 0.15M AS |