7RAY

Crystal structure of MBD2 with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	37.599, 71.992, 126.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 1.780
R-factor	0.2113
Rwork	0.209
R-free	0.25270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c2z
RMSD bond length	0.007
RMSD bond angle	1.217
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	PHENIX (dev_1439)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.040	42.040	1.820
High resolution limit [Å]	1.780	9.080	1.780
Rmerge	0.037	0.032	0.471
Rmeas	0.040	0.036	0.506
Rpim	0.015	0.015	0.185
Number of reflections	33442	155	938
<I/σ(I)>	28.1		4
Completeness [%]	99.2	98.9	98.5
Redundancy	7.2	5.6	7.3
CC(1/2)	0.999	0.998	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2 M disodium tartrate