4X9J

EGR-1 with Doubly Methylated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	90
Detector technology	CCD
Collection date	2014-11-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	44.009, 55.989, 128.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.357 - 1.412
R-factor	0.1738
Rwork	0.172
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r2a
RMSD bond length	0.013
RMSD bond angle	1.338
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1810))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.000	43.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.127	0.061	0.653
Rmeas	0.131	0.063	0.719
Rpim	0.036	0.015	0.292
Total number of observations	447598
Number of reflections	29071
<I/σ(I)>	10.7
Completeness [%]	90.6	97.2	46
Redundancy	15.4	16.7	5.7
CC(1/2)		0.995	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	25mM BisTris pH8, 10% PEG-600, 450mM NaCl