5GVK

Plasmodium vivax SHMT bound with PLP-glycine and GS256

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	100.943, 58.297, 233.613
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	30.000 - 2.240
R-factor	0.2229
Rwork	0.215
R-free	0.29260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.010
RMSD bond angle	1.595
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	2.330
High resolution limit [Å]	2.240	4.840	2.250
Rmerge	0.057	0.027	0.353
Number of reflections	62386
<I/σ(I)>	13.6
Completeness [%]	95.8	99.1	80.3
Redundancy	4.1	4.4	3.6
CC(1/2)		0.999	0.906

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