3LBZ

Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	101.712, 38.611, 78.817
Unit cell angles	90.00, 114.70, 90.00

Refinement procedure

Resolution	46.225 - 2.300
R-factor	0.2154
Rwork	0.213
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r29
RMSD bond length	0.030
RMSD bond angle	2.929
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.225	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.066	0.158
Number of reflections	12353
<I/σ(I)>	17.86	11.36
Completeness [%]	97.5	96.9
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	296	1 microliter of protein solution (9.5 mg/ml BCL6-BTB in 20 mM Tris pH 8.3, 450 mM NaCl, 1 mM TCEP) was mixed with 1 microliter of reservoir solution (180 mM sodium acetate, 190 mM sodium formate, 10% Glycerol, 50 mM NaCl and 10mM N-(4-bromophenylsulfonyl)acetamide), VAPOR DIFFUSION, HANGING DROP, temperature 296K