3UJC

Phosphoethanolamine methyltransferase mutant (H132A) from Plasmodium falciparum in complex with phosphocholine

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	2011-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	89.302, 44.193, 76.949
Unit cell angles	90.00, 108.80, 90.00

Refinement procedure

Resolution	28.910 - 1.190
R-factor	0.146
Rwork	0.145
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.980
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.910	1.210
High resolution limit [Å]	1.190	1.190
Number of reflections	90748
<I/σ(I)>	27.4	2
Completeness [%]	99.6	95.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% PEG-8000, 0.1 M sodium cacodylate, pH 6.5, 0.2 M sodium acetate, 5 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K