8PEH

Crystal structure of Lotus japonicus SYMRK kinase domain D738N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	144.870, 77.960, 101.400
Unit cell angles	90.00, 90.15, 90.00

Refinement procedure

Resolution	41.590 - 1.950
R-factor	0.1968
Rwork	0.195
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.590	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.123	1.567
Rmeas	0.133	1.695
Rpim	0.050	0.638
Number of reflections	80272	7828
<I/σ(I)>	9.16	1.31
Completeness [%]	97.4	95.95
Redundancy	6.9	6.9
CC(1/2)	0.997	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M TRIS pH 8.5 1.26 M ammonium sulphate