7LZS

Crystal structure of the BCL6 BTB domain in complex with OICR-11029

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	2015-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.907, 72.425, 54.816
Unit cell angles	90.00, 104.59, 90.00

Refinement procedure

Resolution	29.910 - 1.490
R-factor	0.1575
Rwork	0.156
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r28
RMSD bond length	0.017
RMSD bond angle	1.631
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]	29.910	1.491
High resolution limit [Å]	1.486	1.486
Rmerge	0.063	0.063
Rmeas	0.071	0.740
Rpim	0.034	0.350
Number of reflections	19187	190
<I/σ(I)>	13.44	2.36
Completeness [%]	99.6
Redundancy	4.4
CC(1/2)	0.997	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	8% PEG 6000, 0.1 M Na Acetate pH 4.8, and 100 mM AmS04