6CTH

Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979100
Spacegroup name	P 61 2 2
Unit cell lengths	56.798, 56.798, 358.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.2098
Rwork	0.208
R-free	0.23846
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uim
RMSD bond length	0.014
RMSD bond angle	1.629
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.081	1.730
Rmeas	0.086
Rpim	0.020	0.544
Number of reflections	39498	2030
<I/σ(I)>	17.4	1.4
Completeness [%]	100.0	99.9
Redundancy	18.6	18.8
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	18% PEG8000, 0.2 M magnesium acetate, 0.1 M SSB buffer