7LF3
C1B domain of Protein kinase C in complex with diacylglycerol-lactone AJH-836
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2020-12-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.00003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 34.913, 25.943, 57.642 |
Unit cell angles | 90.00, 92.57, 90.00 |
Refinement procedure
Resolution | 28.790 - 1.130 |
R-factor | 0.1844 |
Rwork | 0.183 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptq |
RMSD bond length | 0.006 |
RMSD bond angle | 0.942 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.790 | 28.790 | 1.150 |
High resolution limit [Å] | 1.130 | 6.190 | 1.130 |
Rmerge | 0.128 | 0.053 | 2.304 |
Rmeas | 0.145 | 0.060 | 2.547 |
Rpim | 0.065 | 0.028 | 1.063 |
Total number of observations | 656 | 4615 | |
Number of reflections | 18593 | 132 | 842 |
<I/σ(I)> | 15.5 | 42.6 | 0.6 |
Completeness [%] | 95.6 | 97 | 86.6 |
Redundancy | 5.7 | 5 | 5.5 |
CC(1/2) | 0.975 | 0.988 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | Screen condition: 0.2 M Ammonium acetate, 0.1 M Sodium Phosphate, 15% Isopropanol, pH 6.8; Drop condition: Protein: 2 mM in MES pH 6.5, 150 mM KCl, Phosphatidylcholine: 20 mM, AJH-836: 3 mM |