8SE2

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

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	162.745, 157.927, 85.144
Unit cell angles	90.00, 112.23, 90.00

Refinement procedure

Resolution	49.700 - 2.950
R-factor	0.1963
Rwork	0.194
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.805
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	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.115	0.046	1.120
Rmeas	0.135	0.054
Rpim	0.070	0.028	0.682
Total number of observations	149970
Number of reflections	41398	4212	4150
<I/σ(I)>	5.9
Completeness [%]	98.8	98.9	99
Redundancy	3.6	3.6	3.6
CC(1/2)	0.992	0.997	0.475

Crystallization Conditions

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