9EED

The Hanks-type kinase PknS from Xanthomonas citri bound to CHIR-124

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	2018-06-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96858
Spacegroup name	P 41
Unit cell lengths	76.713, 76.713, 58.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.19735
Rwork	0.196
R-free	0.23531
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.592
Data reduction software	XDS (0.73)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.650	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.076	1.457
Rmeas	0.085	1.618
Rpim	0.037	1.539
Number of reflections	20139	1657
<I/σ(I)>	14.1
Completeness [%]	100.0	100
Redundancy	10.3	10.5
CC(1/2)	0.999	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG3350; Lithium Sulfate 0.3M; 0.1M SBG pH 6.5