3E4U

Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.972
Spacegroup name	P 32
Unit cell lengths	59.209, 59.209, 158.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.860 - 2.100
R-factor	0.221
Rwork	0.219
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.294
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.860	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.068	0.157
Total number of observations		20521
Number of reflections	36195
<I/σ(I)>		4.6
Completeness [%]	99.4	100
Redundancy	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	2.5 M sodium nitrate, 100 mM sodium acetate (pH 4.5), 40 mM spermidine, VAPOR DIFFUSION, SITTING DROP, temperature 291K