5XMP

Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057

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	2016-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	100.486, 58.089, 234.749
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	30.000 - 2.400
R-factor	0.2711
Rwork	0.267
R-free	0.30910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.010
RMSD bond angle	1.495
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	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.019	0.015	0.073
Rmeas	0.024	0.018	0.097
Rpim	0.014	0.011	0.063
Number of reflections	51013
<I/σ(I)>	31.9
Completeness [%]	94.2	92	84
Redundancy	2.3	2.8	1.9
CC(1/2)		0.999	0.992

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