5XMT

Plasmodium vivax SHMT bound with PLP-glycine and GS380

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	2016-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	101.578, 58.613, 236.371
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	30.000 - 2.550
R-factor	0.2023
Rwork	0.195
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.011
RMSD bond angle	1.488
Data scaling software	SCALEPACK
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	2.640
High resolution limit [Å]	2.550	5.480	2.550
Rmerge	0.027	0.019	0.059
Rmeas	0.030	0.021	0.065
Rpim	0.012	0.008	0.027
Number of reflections	42088
<I/σ(I)>	27.1
Completeness [%]	92.3	99.1	80.7
Redundancy	4.9	6	4.7
CC(1/2)		0.999	0.997

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