4KRG

SeMet Haemonchus contortus Phosphoethanolamine N-methyltransferase 1 in complex with phosphoethanolamine and S-adenosylhomocysteine

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	2011-03-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	72.998, 72.998, 360.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.541 - 1.680
R-factor	0.1232
Rwork	0.121
R-free	0.13950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.987
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	47.541
High resolution limit [Å]	1.680
Number of reflections	118707
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2 M lithium sulfate monohydrate, 0.1 M Tris-HCl, 30% PEG-4,000, 0.5% n-octyl-beta-D-glucoside, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K