8SE4

Structure of Full-length Human Protein Kinase C Beta 1 (PKCBI) in the Active and Inactive Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	163.029, 158.572, 86.615
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	49.880 - 2.680
R-factor	0.2057
Rwork	0.203
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.680	5.810	2.700
Rmerge	0.141	0.061
Rmeas	0.148	0.064
Rpim	0.045	0.019	0.633
Number of reflections	55754	5668	5533
<I/σ(I)>	5.8
Completeness [%]	99.5	99.4	99.8
Redundancy	10.6	10.6	10.6
CC(1/2)	0.987	0.999	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	PEG3350, sodium citrate