5GVN

Plasmodium vivax SHMT bound with PLP-glycine and GS653

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	101.849, 58.799, 235.609
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	50.010 - 2.300
R-factor	0.225
Rwork	0.219
R-free	0.28170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.011
RMSD bond angle	1.515
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	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.019	0.014	0.076
Number of reflections	61375
<I/σ(I)>	34.9
Completeness [%]	97.8	97.1	85.9
Redundancy	3.9	3.7	3.1
CC(1/2)		0.999	0.992

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