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 |
