1BOO

PVUII DNA METHYLTRANSFERASE (CYTOSINE-N4-SPECIFIC)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	289
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	0.98233,0.98211,0.92,1.072
Spacegroup name	P 1 21 1
Unit cell lengths	48.800, 112.400, 59.300
Unit cell angles	90.00, 109.20, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.193
Rwork	0.193
R-free	0.28300
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.052	0.226
Total number of observations	54787 *
Number of reflections	14886
<I/σ(I)>	11.5	5.5
Completeness [%]	99.7	97.5
Redundancy	3.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.2		0.1 M HEPES PH 7.2, 0.2 M SODIUM ACETATE 20% POLYETHYLENE GLYCOL 400

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	HEPES	0.1 (M)
2	1	1	sodium acetate	0.2 (M)
3	1	1	PEG4000	20 (%(w/v))