7ZWN

Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-27
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5419
Spacegroup name	P 61 2 2
Unit cell lengths	66.453, 66.453, 151.203
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.110 - 2.050
R-factor	0.175
Rwork	0.173
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bim
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.790	45.790	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.175	0.046	1.243
Rmeas	0.180	0.048	1.305
Rpim	0.040	0.010	0.390
Total number of observations	254697	3915	10475
Number of reflections	13158	219	986
<I/σ(I)>	12.8	34	1.9
Completeness [%]	100.0	99.1	99.9
Redundancy	19.4	17.9	10.6
CC(1/2)	0.998	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.