4HP3

Crystal structure of Tet3 in complex with a CpG dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	69.892, 39.455, 54.134
Unit cell angles	90.00, 99.92, 90.00

Refinement procedure

Resolution	30.000 - 2.050
R-factor	0.217
Rwork	0.215
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished model of complex between same protein construct and a methylated DNA fragment. That structure was solved by a combination of zinc-SAD (SHELXD/E) and molecular replacement in "density" mode (MOLREP) using ideal DNA (COOT) and human MLL2 (currently unpublished) as search models.
RMSD bond length	0.013
RMSD bond angle	1.359
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0027)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.420	34.420	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge	0.053	0.040	0.670
Total number of observations		1052	4996
Number of reflections	9281
<I/σ(I)>	12.5727
Completeness [%]	99.8	99.03	99.85
Redundancy	3.71	3.35	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	30% PEG-1500, 0.2M sodium chloride, 0.1M HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 291K