5W9Q

Zinc finger region of MBD1 in complex with CpG DNA

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	2013-06-01
Detector	RAYONIX MX-300
Wavelength(s)	0.979590
Spacegroup name	C 1 2 1
Unit cell lengths	139.339, 27.800, 64.914
Unit cell angles	90.00, 106.52, 90.00

Refinement procedure

Resolution	33.690 - 1.800
R-factor	0.2277
Rwork	0.226
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 4HP3 3qmd
RMSD bond length	0.015
RMSD bond angle	1.509
Data reduction software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.690	33.690	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.046	0.042	0.726
Rmeas	0.054	0.051	0.848
Rpim	0.028	0.029	0.435
Total number of observations	83217	616	4957
Number of reflections	22639
<I/σ(I)>	13.3	30.7	1.9
Completeness [%]	99.8	97.3	99.9
Redundancy	3.7	3.1	3.7
CC(1/2)	0.998	0.995	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	25% PEG-400, 0.2 M magnesium chloride, 0.1 M hepes