7RV7

Crystal structure of the BCL6 BTB domain in complex with OICR-9322

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	2013-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	30.556, 74.943, 53.083
Unit cell angles	90.00, 104.92, 90.00

Refinement procedure

Resolution	30.260 - 1.630
R-factor	0.1651
Rwork	0.164
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.470	37.470	1.820
High resolution limit [Å]	1.630	3.640	1.630
Rmerge	0.046	0.025	0.347
Rmeas	0.055	0.029	0.413
Rpim	0.030	0.016	0.222
Total number of observations	46448	4222	13459
Number of reflections	14298	1308	4038
<I/σ(I)>	14.4	39.6	3.3
Completeness [%]	98.8	98.5	98.8
Redundancy	3.2	3.2	3.3
CC(1/2)	0.999	0.998	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	292	Precipitant solution was 16-20% PEG 8K in 0.1M pH 6. BisTris buffer. Crystals were soaked in 0.1M Hepes 7.4, 20% PEG 8K, 25% glycerol 0.5 mM ligand prior to passage through paratone and freezing.