7RV0

Crystal structure of the BCL6 BTB domain in complex with OICR-8446

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.768, 72.771, 55.706
Unit cell angles	90.00, 107.48, 90.00

Refinement procedure

Resolution	27.540 - 1.450
R-factor	0.1587
Rwork	0.158
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.015
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.540	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.040	0.445
Rmeas	0.054	0.578
Rpim	0.032	0.364
Number of reflections	20085	2953
<I/σ(I)>	17.4	2.9
Completeness [%]	97.8	99.1
Redundancy	4.3	4.3
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	292	sodium formate, sodium acetate, pH 4.8