5YG3

Plasmodium vivax SHMT bound with PLP-glycine and S-GS834

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-07-17
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	101.623, 58.727, 236.139
Unit cell angles	90.00, 90.32, 90.00

Refinement procedure

Resolution	19.810 - 2.400
R-factor	0.2301
Rwork	0.222
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.011
RMSD bond angle	1.603
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.810	19.810	2.470
High resolution limit [Å]	2.400	9.900	2.400
Rmerge	0.090	0.051	0.381
Rmeas	0.097	0.057	0.439
Rpim	0.037	0.024	0.211
Total number of observations	342285
Number of reflections	52746	579	4597
<I/σ(I)>	14.8
Completeness [%]	96.1	70.2	96.5
Redundancy	6.5	4.4	3.8
CC(1/2)	0.998	0.998	0.948

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