4RA5
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
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 | 2012-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.822, 77.026, 147.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.770 - 2.610 |
R-factor | 0.22982 |
Rwork | 0.228 |
R-free | 0.27681 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.123 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.770 | 2.860 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.047 | 0.444 |
Number of reflections | 26584 | |
Completeness [%] | 99.1 | 99.3 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.25 | PEG 3350, MgCl2, sodium acetate and sodium malonate, pH 4.25, VAPOR DIFFUSION, HANGING DROP |