6T41
CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.969, 70.687, 170.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.047 - 2.450 |
R-factor | 0.1853 |
Rwork | 0.183 |
R-free | 0.25580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bnj |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.047 | 48.047 | 2.700 |
High resolution limit [Å] | 2.450 | 15.850 | 2.450 |
Rmerge | 0.078 | 0.017 | 0.434 |
Rmeas | 0.095 | 0.021 | 0.532 |
Total number of observations | 88558 | ||
Number of reflections | 31003 | 111 | 7887 |
<I/σ(I)> | 13.37 | 56.76 | 2.68 |
Completeness [%] | 96.1 | 72.1 | 98.5 |
Redundancy | 2.856 | 3.162 | 2.854 |
CC(1/2) | 0.996 | 0.999 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20%(w/v) PEG-3350 and 0.2 M sodium formate |