6ZJF

Crystal structure of STK17B (DRAK2) in complex with AP-229

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	2018-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 41 2 2
Unit cell lengths	83.349, 83.349, 114.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.270 - 1.750
R-factor	0.1809
Rwork	0.179
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm0
RMSD bond length	0.014
RMSD bond angle	1.496
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]	37.270	37.270	1.810
High resolution limit [Å]	1.750	6.780	1.750
Rmerge	0.084	0.038	0.865
Rmeas	0.096	0.042	0.998
Rpim	0.036	0.017	0.361
Number of reflections	41311	836	3990
<I/σ(I)>	11.9		2.1
Completeness [%]	100.0	99.3	100
Redundancy	7.2	6.2	7.4
CC(1/2)	0.998	0.998	0.509

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	19% PEG 3350, 0.1M NaCl, 0.1M bis-tris 6.0