3QMC

Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97924
Spacegroup name	C 2 2 21
Unit cell lengths	30.545, 75.016, 126.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.510 - 2.100
R-factor	0.2159
Rwork	0.214
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 3QMB
RMSD bond length	0.011
RMSD bond angle	1.605
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.067	0.040	0.493
Number of reflections	8874
<I/σ(I)>	12.9
Completeness [%]	100.0	99.9	100
Redundancy	8.7	8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M HEPES pH 7.5, 0.2M CaCl2, 28% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 291K