4KRH

SeMet Haemonchus contortus Phosphoethanolamine N-methyltransferase 2 in complex with S-adenosyl-L-methionine

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	2010-08-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 2 3
Unit cell lengths	184.542, 184.542, 184.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.265 - 3.000
R-factor	0.2415
Rwork	0.239
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.011
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]	41.300
High resolution limit [Å]	3.000
Number of reflections	21008
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1 M Tris-HCl, 25% PEG-400, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K