7LEO
C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2020-11-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.388, 50.888, 37.485 |
Unit cell angles | 90.00, 107.72, 90.00 |
Refinement procedure
Resolution | 29.960 - 1.650 |
R-factor | 0.2248 |
Rwork | 0.224 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.640 | 4.480 | 1.650 |
Rmerge | 0.104 | 0.076 | 0.831 |
Rmeas | 0.116 | 0.085 | 0.964 |
Rpim | 0.049 | 0.037 | 0.479 |
Number of reflections | 17721 | 920 | 882 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 98.5 | 98 | 98.1 |
Redundancy | 5.4 | 5.4 | 3.7 |
CC(1/2) | 0.993 | 0.992 | 0.568 |
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: 2.2 mM |