7L92

C1B domain of Protein kinase C in complex with diacylglycerol and dodecyl 2-(trimethylammonio)ethyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	120
Detector technology	PIXEL
Collection date	2020-11-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03322
Spacegroup name	H 3
Unit cell lengths	89.068, 89.068, 218.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.960 - 1.750
R-factor	0.216
Rwork	0.214
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ptq
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.070	0.613
Number of reflections	64618	3574
<I/σ(I)>	6.8
Completeness [%]	99.1
Redundancy	2.8
CC(1/2)	0.991	0.528

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 conditions: For seed crystals Protein: 2 mM in MES pH 6.5, 150 mM KCl Dodecylphosphocholine: 20 mM 1,2-dioctanoyl-sn-glycerol: 2.5 mM Final drop Protein: 2 mM in MES pH 6.5, 150 mM KCl Dodecylphosphocholine: 10 mM 1,2-dioctanoyl-sn-glycerol: 2.5 mM