3QV2

Structure Analysis of Entamoeba histolytica methyltransferase EhMeth

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.981
Spacegroup name	P 43 21 2
Unit cell lengths	46.970, 46.970, 303.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.416 - 2.150
R-factor	0.2212
Rwork	0.218
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.614
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.200
High resolution limit [Å]	2.150	17.000	2.150
Rmerge	0.099	0.031	0.515
Number of reflections	19536
<I/σ(I)>	10.99	35.12	2.46
Completeness [%]	99.1	83.1	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1 M MES, 22% PEG 8000 (w/v), 0.2 M (NH4)2SO4, pH 6,5, vapor diffusion, temperature 298K