6Y6F

Crystal structure of STK17B (DRAK2) in complex with PKIS43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91840
Spacegroup name	P 41 2 2
Unit cell lengths	83.650, 83.650, 114.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.650 - 1.980
R-factor	0.184
Rwork	0.182
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm5
RMSD bond length	0.016
RMSD bond angle	1.667
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.650	34.780	2.090
High resolution limit [Å]	1.980	6.260	1.980
Rmerge	0.174	0.058	0.877
Rmeas	0.204	0.063	1.031
Rpim	0.078	0.025	0.388
Number of reflections	28957	1020	4174
<I/σ(I)>	7.9		2
Completeness [%]	99.8	98.2	100
Redundancy	6.5	6	6.7
CC(1/2)	0.993	0.997	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	16% PEG 3350, 0.1M NaCl, 0.1M bis-tris 5.5