6EAS

Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076

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	2018-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976230
Spacegroup name	P 21 2 21
Unit cell lengths	60.506, 61.790, 65.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.910 - 2.000
R-factor	0.20947
Rwork	0.207
R-free	0.25136
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cpy
RMSD bond length	0.007
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.910	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.871
Rmeas	0.066	1.025
Rpim	0.035	0.537
Number of reflections	17144	1238
<I/σ(I)>	14.6	2
Completeness [%]	99.9	100
Redundancy	6.4	6.8
CC(1/2)	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	1 mM zinc chloride, 22% PEG6000, 100 mM MES, pH 6