7BDE

HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-23
Detector	RIGAKU SATURN A200
Wavelength(s)	1.541780
Spacegroup name	P 32 2 1
Unit cell lengths	49.251, 49.251, 124.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.044
R-factor	0.1834
Rwork	0.180
R-free	0.24100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	IN-HOUSE DERIVED
RMSD bond length	0.006
RMSD bond angle	1.409
Data reduction software	Aimless (0.7.4)
Data scaling software	STARANISO (2.2.19)
Phasing software	REFMAC (5.8.0253)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.347	2.249
High resolution limit [Å]	2.044	2.044
Rmerge	0.167	2.195
Rmeas		2.314
Rpim		0.717
Number of reflections	7572	379
<I/σ(I)>	11	1.5
Completeness [%]	64.9	13.3
Redundancy	10.4	10
CC(1/2)		0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, Glycerol, BisTris Propane