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 |