7RUY

Crystal structure of the BCL6 BTB domain in complex with OICR-8388

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	2012-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	30.447, 72.180, 55.538
Unit cell angles	90.00, 107.13, 90.00

Refinement procedure

Resolution	27.250 - 1.270
R-factor	0.1448
Rwork	0.143
R-free	0.17110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.012
RMSD bond angle	1.287
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]	27.250	1.340
High resolution limit [Å]	1.270	1.270
Rmerge	0.041	0.397
Rmeas	0.053	0.513
Rpim	0.033	0.320
Number of reflections	28364	4075
<I/σ(I)>	16	3
Completeness [%]	93.7	92.7
Redundancy	4.1	4.1
CC(1/2)	0.990	0.780

Crystallization Conditions

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