7LWF

Crystal structure of the BCL6 BTB domain in complex with OICR-9320

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	2013-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.473, 72.420, 55.592
Unit cell angles	90.00, 106.31, 90.00

Refinement procedure

Resolution	29.960 - 1.220
R-factor	0.1466
Rwork	0.145
R-free	0.16680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbz
RMSD bond length	0.012
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.210	1.224
High resolution limit [Å]	1.220	1.220
Rmerge	0.027	0.393
Rmeas	0.032	0.456
Rpim	0.022	0.303
Number of reflections	34189	336
<I/σ(I)>	18.7	2.2
Completeness [%]	99.4	100
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG, citrate cocrystallization, crystal soaked with Hepes pH 7.4, 20% glycerol, ligand prior to freezing.