5GVP

Plasmodium vivax SHMT bound with PLP-glycine and GS654

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	2016-03-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	102.075, 58.928, 234.830
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	50.010 - 2.260
R-factor	0.2563
Rwork	0.250
R-free	0.31150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.011
RMSD bond angle	1.544
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]	50.010	50.000	2.340
High resolution limit [Å]	2.260	4.870	2.260
Rmerge	0.020	0.015	0.126
Number of reflections	63448
<I/σ(I)>	32.4
Completeness [%]	96.3	96.9	81.8
Redundancy	3.7	3.6	2.9
CC(1/2)		0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	298	PEG 4000, 0.06-0.12 M NaCl, 0.1 M Tris-HCl pH 8.5