6C3N

Crystal structure of BCL6 BTB domain in complex with compound 7CC5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	34.103, 85.065, 117.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.639 - 2.532
R-factor	0.210066088749
Rwork	0.207
R-free	0.26752
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.004
RMSD bond angle	0.675
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.116	0.438
Number of reflections	11920	1054
<I/σ(I)>	16.6
Completeness [%]	84.4
Redundancy	6.3
CC(1/2)	0.993	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1.6 M ammonium formate, .1 M Tris, pH 7.5