6FCF
CHK1 KINASE IN COMPLEX WITH COMPOUND 44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9765 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.171, 65.469, 59.257 |
Unit cell angles | 90.00, 93.66, 90.00 |
Refinement procedure
Resolution | 14.980 - 1.850 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 25883 | |
<I/σ(I)> | 11.4 | |
Completeness [%] | 94.2 | |
Redundancy | 2.8 |
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 |