4OYT

Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	100.619, 58.115, 236.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.2049
Rwork	0.200
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o6z
RMSD bond length	0.008
RMSD bond angle	1.382
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.047	0.034	0.172
Total number of observations	126391
Number of reflections	51056
<I/σ(I)>	30.3
Completeness [%]	94.6	95.8	84.9
Redundancy	2.5	2.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	297	PEG4000, 0.06-0.12 M sodium chloride, 0.1 M Tris-HCl pH 8.5