7A06
Structure of human CKa1 in complex with compound o
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-24 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.374, 61.374, 221.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.370 - 1.800 |
R-factor | 0.18983 |
Rwork | 0.189 |
R-free | 0.22994 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g15 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.385 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.100 | 0.653 |
Number of reflections | 40416 | 5751 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 99.9 | |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350 magensium nitrate |