7LZR

Crystal structure of the BCL6 BTB domain in complex with OICR-10256

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)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	55.363, 73.055, 64.421
Unit cell angles	90.00, 109.50, 90.00

Refinement procedure

Resolution	31.300 - 1.340
R-factor	0.1366
Rwork	0.135
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r28
RMSD bond length	0.016
RMSD bond angle	1.561
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.050	1.343
High resolution limit [Å]	1.339	1.339
Rmerge	0.041	0.610
Rmeas	0.046	0.691
Rpim	0.022	0.332
Number of reflections	108129	1112
<I/σ(I)>	16.6
Completeness [%]	99.5
Redundancy	4.4
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	293	10% PEG 6000, 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO