7CY8

Crystal Structure of CMD1 in complex with 5mC-DNA and vitamin C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	173
Detector technology	PIXEL
Collection date	2020-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	154.488, 125.646, 64.058
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	49.280 - 2.400
R-factor	0.1923
Rwork	0.190
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cy4
RMSD bond length	0.008
RMSD bond angle	1.281
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.280	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.088	1.020
Number of reflections	35155	1758
<I/σ(I)>	13.1	1.6
Completeness [%]	94.6
Redundancy	4.7
CC(1/2)	1.000	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	290	15% (v/v) 2-propanol, 0.1 M sodium citrate, pH 5.0, and 10% (w/v) PEG 10000