8U37
Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution
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 | 2023-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.851, 44.410, 84.789 |
| Unit cell angles | 90.00, 114.62, 90.00 |
Refinement procedure
| Resolution | 38.660 - 2.480 |
| R-factor | 0.2197 |
| Rwork | 0.218 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iw4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.411 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.400 | 2.620 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.048 | 0.372 |
| Number of reflections | 13022 | 632 |
| <I/σ(I)> | 13.7 | 2.9 |
| Completeness [%] | 98.7 | 98.3 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Bis-Tris, pH 5.5, 18% PEG3350, 0.2 M magnesium chloride |
