5X4M

Crystal structure of the BCL6 BTB domain in complex 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	2014-02-27
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	66.425, 66.425, 152.192
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.650
R-factor	0.17986
Rwork	0.179
R-free	0.20568
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r28
RMSD bond length	0.010
RMSD bond angle	1.520
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	24802
<I/σ(I)>	36.2	1.2
Completeness [%]	99.8	96.6
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Bis-Tris, potassium/sodium tartrate