4Q9Z
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-29 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.954, 78.575, 146.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.480 - 2.600 |
R-factor | 0.21987 |
Rwork | 0.219 |
R-free | 0.25595 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.077 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.480 | 2.810 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.045 | 0.450 |
Number of reflections | 28125 | |
Completeness [%] | 96.2 | 98 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |