7RUW

Crystal structure of the BCL6 BTB domain in complex with OICR-7859

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	2012-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	30.330, 72.133, 55.493
Unit cell angles	90.00, 107.14, 90.00

Refinement procedure

Resolution	29.820 - 1.300
R-factor	0.141
Rwork	0.140
R-free	0.16930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.016
RMSD bond angle	1.496
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.067	36.067	1.380
High resolution limit [Å]	1.300	4.130	1.300
Rmerge		0.024	0.436
Rmeas	0.048	0.032	0.613
Rpim	0.023	0.015	0.296
Number of reflections	26547	862	3879
<I/σ(I)>	17.1	23.3	1.8
Completeness [%]	95.9	95	96.5
Redundancy	4.1	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	290	1.3M sodium formate, 0.1M Na acetate pH 5.2