7AKG

Crystal structure of STK17B with bound dovitinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91840
Spacegroup name	P 41 2 2
Unit cell lengths	84.289, 84.289, 114.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 2.080
R-factor	0.1872
Rwork	0.186
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lm0
RMSD bond length	0.015
RMSD bond angle	1.423
Data reduction software	XDS
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]	47.270	47.270	2.140
High resolution limit [Å]	2.080	9.070	2.080
Rmerge	0.117	0.062	0.849
Rmeas	0.128	0.068	0.964
Rpim	0.040	0.025	0.329
Number of reflections	25428	380	1936
<I/σ(I)>	10.7		2.3
Completeness [%]	100.0	99.4	100
Redundancy	10.2	7.7	8.4
CC(1/2)	0.995	0.988	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277.15	10% PEG 3350, 0.2M NaCl and 0.1M bis-tris pH 5.5