9S9T

Structure of human PKCBeta Kinase domain with Ruboxistaurin, D427N mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-01
Detector	DECTRIS EIGER2 XE CdTe 9M
Wavelength(s)	0.67
Spacegroup name	P 31 2 1
Unit cell lengths	102.327, 102.327, 82.827
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.511 - 3.425
Rwork	0.214
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.193
Data reduction software	DIALS (3.10.3-2-g650e29187-release)
Data scaling software	DIALS
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.511	3.470
High resolution limit [Å]	3.420	3.420
Number of reflections	7021	343
<I/σ(I)>	3.8	0.3
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.995	0.175

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.17	293	0.1M Citrate pH 5.17 12.3% PEG 6k