5GVL

Plasmodium vivax SHMT bound with PLP-glycine and GS182

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-06
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	101.262, 58.506, 233.500
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.2042
Rwork	0.199
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.009
RMSD bond angle	1.462
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.053	0.024	0.365
Number of reflections	46682
<I/σ(I)>	11.9
Completeness [%]	97.3	98.3	80.6
Redundancy	3.4	3.4	2.4
CC(1/2)		0.999	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	298	PEG4000, 0.06-0.12M NaCl, 0.1M Tris-HCl pH 8.5