4RA4
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-21 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.412, 44.468, 85.502 |
| Unit cell angles | 90.00, 114.72, 90.00 |
Refinement procedure
| Resolution | 40.770 - 2.630 |
| R-factor | 0.1898 |
| Rwork | 0.186 |
| R-free | 0.26350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.670 | 2.810 |
| High resolution limit [Å] | 2.630 | 2.610 |
| Rmerge | 0.077 | |
| Number of reflections | 11659 | |
| <I/σ(I)> | 13.8 | 3.2 |
| Completeness [%] | 99.6 | |
| Redundancy | 4.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 290 | 25%(w/v) PEG 3350, 0.1M Bis-Tris, 0.2M magnesium chloride, pH 5.5, VAPOR DIFFUSION, temperature 290K |
