7LWE

Crystal structure of the BCL6 BTB domain in complex with OICR-7629

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	2011-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	30.606, 72.113, 55.044
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	29.850 - 1.170
R-factor	0.1162
Rwork	0.115
R-free	0.13130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbz
RMSD bond length	0.016
RMSD bond angle	1.511
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]	53.200	1.230
High resolution limit [Å]	1.170	1.170
Rmerge	0.023	0.147
Rmeas	0.031	0.204
Rpim	0.017	0.135
Number of reflections	37874	4717
<I/σ(I)>	21.5	4.4
Completeness [%]	96.7	82.73
Redundancy	3	2.1
CC(1/2)	0.995	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	1.2 M Ammonium sulfate, 0.1 M citrate pH 5.6 with 0.5 mM compound