6Y6H

Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 41 2 2
Unit cell lengths	83.599, 83.599, 114.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.800 - 1.950
R-factor	0.1828
Rwork	0.181
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm5
RMSD bond length	0.012
RMSD bond angle	1.291
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.800	41.800	2.020
High resolution limit [Å]	1.950	7.550	1.950
Rmerge	0.092	0.039	0.883
Rmeas	0.106	0.043	1.037
Rpim	0.039	0.017	0.396
Number of reflections	30247	623	2885
<I/σ(I)>	11.5		2.1
Completeness [%]	99.7	99.4	98.9
Redundancy	7.1	5.9	6.7
CC(1/2)	0.998	0.998	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	13% PEG 3350, 0.1M NaCl, 0.1M bis-tris 6.0