8FSD

P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF

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	2019-08-18
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	86.565, 90.480, 146.183
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	47.410 - 1.490
R-factor	0.1857
Rwork	0.184
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.084	1.464
Rmeas	0.099	1.764
Rpim	0.052	0.968
Number of reflections	361249	16711
<I/σ(I)>	7	0.6
Completeness [%]	98.5	92.4
Redundancy	3.5	3.2
CC(1/2)	0.997	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.18-0.25 TMAO 0.1 M TRIS HCL 21-23% W/V PEG MME 2000