7RUX

Crystal structure of the BCL6 BTB domain in complex with OICR-8311

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	2012-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.450, 72.300, 55.725
Unit cell angles	90.00, 106.62, 90.00

Refinement procedure

Resolution	36.150 - 1.300
R-factor	0.1371
Rwork	0.136
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.009
RMSD bond angle	1.058
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]	36.200	1.347
High resolution limit [Å]	1.300	1.300
Rmerge	0.030	0.224
Rmeas	0.030
Rpim	0.021	0.224
Number of reflections	27282	2688
<I/σ(I)>	21.29	4.95
Completeness [%]	95.7	95.34
Redundancy	3.4	3.4
CC(1/2)	0.990	0.783

Crystallization Conditions

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