8TQF

Crystal structure of Soybean SHMT8 in complex with PLP-glycine and diglutamylated 5-formyltetrahydrofolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-05-28
Detector	RDI CMOS_8M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	86.208, 89.020, 146.190
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	47.090 - 1.690
R-factor	0.1856
Rwork	0.184
R-free	0.21390
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.066	1.057
Rmeas	0.091	0.091
Rpim	0.062	0.975
Number of reflections	238872	10106
<I/σ(I)>	8.6	0.6
Completeness [%]	96.9	82.9
Redundancy	3.4	2.7
CC(1/2)	0.997	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M Magnesium formate dihydrate, 13% PEG 3350 0.2 M Lithium sulfate, 0.1 M Hepes pH 7.5, 25% w/v PEG 3350