5MW6

Crystal structure of the BCL6 BTB-domain with compound 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-22
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	140.860, 33.010, 48.900
Unit cell angles	90.00, 94.73, 90.00

Refinement procedure

Resolution	40.000 - 1.650
R-factor	0.183
Rwork	0.181
R-free	0.21000
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.190	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.050	0.520
Number of reflections	27226
<I/σ(I)>	14.84	2.3
Completeness [%]	99.4	100
Redundancy	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	296	0.1 M Na/K phosphate 20 % PEG 400 15 % PEG 1500