6G8F

Crystal structure of UTX complexed with GSK-J1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999870
Spacegroup name	P 21 21 21
Unit cell lengths	80.781, 82.338, 92.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.919 - 2.043
R-factor	0.1952
Rwork	0.193
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3avs
RMSD bond length	0.009
RMSD bond angle	0.775
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.919	6.090
High resolution limit [Å]	2.040	2.040
Number of reflections	72632	11283
<I/σ(I)>	11.06	1.37
Completeness [%]	96.1	92.3
Redundancy	2	1.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl (pH 8.5), Li2 SO4 (0.15-0.25 M), PEG 3350 (20-25% w/v)