4PFF

Crystal structure of Plasmodium vivax SHMT with PLP Schiff base

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	2010-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	101.049, 58.328, 237.138
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.2229
Rwork	0.221
R-free	0.24000
RMSD bond length	0.007
RMSD bond angle	1.214
Data scaling software	SCALEPACK (HKL2000)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.032	0.027	0.060
Total number of observations	142117
Number of reflections	58848
<I/σ(I)>	42.2
Completeness [%]	94.6	96.5	85
Redundancy	2.4	2.6	2

Crystallization Conditions

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