7RV1

Crystal structure of the BCL6 BTB domain in complex with OICR-8826

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	2012-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.707, 72.689, 55.478
Unit cell angles	90.00, 106.50, 90.00

Refinement procedure

Resolution	30.010 - 1.170
R-factor	0.1301
Rwork	0.129
R-free	0.15130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.014
RMSD bond angle	1.441
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]	36.340	1.240
High resolution limit [Å]	1.170	1.170
Rmerge	0.064	0.434
Rmeas	0.082	0.566
Rpim	0.050	0.360
Number of reflections	37804	5171
<I/σ(I)>	10.9	2.5
Completeness [%]	97.5	91.6
Redundancy	4.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	292	Ammoniuim sulfate , acetate pH 5.2