7X5O

Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	126.981, 126.981, 170.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.620
R-factor	0.1557
Rwork	0.154
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3d
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	2.714
High resolution limit [Å]	2.620	2.620
Rmeas	0.659	3.464
Rpim	0.127	0.655
Number of reflections	42482	4171
<I/σ(I)>	13.66	1.49
Completeness [%]	99.9
Redundancy	27
CC(1/2)	0.997	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.1M sodium cacodylate/hydrochloric acid pH 6.5, 2M ammonium sulfate, 0.2M sodium chloride