4H0N

Crystal structure of Spodoptera frugiperda DNMT2 E260A/E261A/K263A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	97.394, 106.154, 151.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.697 - 2.712
R-factor	0.2045
Rwork	0.202
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g55
RMSD bond length	0.005
RMSD bond angle	0.919
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.161	0.690
Number of reflections	42751
<I/σ(I)>	13	2.4
Completeness [%]	99.8	99.8
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.2 M calcium chloride, 0.1 M HEPES, pH 6.8, 16% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K