4LG7

Crystal structure MBD4 MBD domain in complex with methylated CpG DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-15
Detector	RIGAKU RAXIS
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	49.367, 78.209, 40.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 2.500
R-factor	0.2142
Rwork	0.212
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vxx
RMSD bond length	0.009
RMSD bond angle	1.350
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.746	36.004	2.640
High resolution limit [Å]	2.450	7.910	2.500
Rmerge		0.029	0.921
Total number of observations		1176	5700
Number of reflections	5780
<I/σ(I)>	14	18.3	0.9
Completeness [%]	99.4	99	98.8
Redundancy	6.8	5.3	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	30% PEG400, 5% MPD, 0.2 M sodium chloride, 0.1 M HEPES. protein:dna 1:1.2., pH 7.5, vapor diffusion, sitting drop, temperature 291K