7BK1
Crystal structure of CHK1-10pt-mutant complex with compound 32
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER TURBO X-RAY SOURCE |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2014-10-03 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.894, 65.752, 54.975 |
Unit cell angles | 90.00, 99.88, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oop |
RMSD bond length | 0.010 |
RMSD bond angle | 1.627 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.300 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.115 | 0.649 |
Number of reflections | 21388 | 2892 |
<I/σ(I)> | 8.7 | 1.1 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 5.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8000, 0.1 M MES buffer pH 6.5, 20% ethylene glycol |