4KRI

Haemonchus contortus Phospholethanolamine N-methyltransferase 2 in complex with phosphomonomethylethanolamine 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	2010-08-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	135.987, 136.838, 90.867
Unit cell angles	90.00, 118.39, 90.00

Refinement procedure

Resolution	34.200 - 1.720
R-factor	0.1762
Rwork	0.174
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.036
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	34.200
High resolution limit [Å]	1.720
Number of reflections	150007
Completeness [%]	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.1 M sodium citrate, 20% PEG-3,000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K