6C3L

Crystal structure of BCL6 BTB domain with compound 15f

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	2016-10-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	30.930, 39.589, 55.182
Unit cell angles	83.75, 73.85, 66.96

Refinement procedure

Resolution	30.025 - 1.461
R-factor	0.201385848596
Rwork	0.200
R-free	0.23523
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.003
RMSD bond angle	0.588
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	phenix.refine (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.510
High resolution limit [Å]	1.460	1.460
Number of reflections	38467
<I/σ(I)>	11.4
Completeness [%]	95.9
Redundancy	2
CC(1/2)	0.066	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M sodium acetate pH 4.5, 27% (w/v) PEG-3,350