5YG4

Plasmodium vivax SHMT bound with PLP-glycine and S-GS849

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-07-21
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	100.848, 58.207, 234.497
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.2211
Rwork	0.215
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmr
RMSD bond length	0.011
RMSD bond angle	1.567
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	19.640	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.071	0.040	0.287
Rmeas	0.077	0.053	0.335
Rpim	0.029	0.034	0.171
Number of reflections	60621	515	4414
<I/σ(I)>	17
Completeness [%]	99.5	69.5	99.9
Redundancy	6.3	1.8	3.6
CC(1/2)	0.998	0.996	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	298	PEG 4000, 0.06-0.12M NaCl, 0.1M Tris-HCl pH 8.5