4KBA
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 48.689, 83.964, 89.290 |
Unit cell angles | 108.00, 105.71, 93.00 |
Refinement procedure
Resolution | 19.960 - 1.980 |
R-factor | 0.2099 |
Rwork | 0.208 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 80.950 |
High resolution limit [Å] | 1.980 |
Rmerge | 0.083 |
Number of reflections | 85686 |
<I/σ(I)> | 6.9 |
Completeness [%] | 96.4 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |