7RV9

Crystal structure of the BCL6 BTB domain in complex with OICR-10269

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	2014-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	31.215, 72.787, 54.995
Unit cell angles	90.00, 105.72, 90.00

Refinement procedure

Resolution	30.010 - 1.500
R-factor	0.148
Rwork	0.146
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.022
RMSD bond angle	2.497
Data reduction software	XDS
Data scaling software	Aimless (0.3.8)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.940	1.505
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.648
Rmeas		0.600
Rpim		0.525
Number of reflections	18489	193
<I/σ(I)>	13.5	2
Completeness [%]	97.7	96.5
Redundancy	3.4	3.3
CC(1/2)		0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	292	Microseeding with10% PEG6K with 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO in Reservoir. Shifted to pH 7.4, 20% glycerol for freezing