4IV0

Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine and phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-14
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	38.170, 86.870, 79.580
Unit cell angles	90.00, 101.05, 90.00

Refinement procedure

Resolution	19.684 - 1.400
R-factor	0.1583
Rwork	0.157
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uj6
RMSD bond length	0.006
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.082	0.038	0.556
Number of reflections	98848	1116	7155
<I/σ(I)>	13.61	33.26	2.99
Completeness [%]	98.8	96	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Protein solution was at 15 mg/mL containing 20 mM Tris (pH 7.5), 100 mM NaCl, 10 mM EDTA and 10 mM bME, 5 mM SAM. Mother liqueur contained 0.2 M Ammonium formate and 20% PEG 3,350. Cryoprotectant was 30% PEG 3,350 , VAPOR DIFFUSION, SITTING DROP, temperature 277K