6FC8
CHK1 KINASE IN COMPLEX WITH COMPOUND 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-11-18 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.614, 70.162, 104.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.670 - 1.610 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
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] | 58.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 33213 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 82.6 | |
Redundancy | 5.8 |
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 |