9J4G

Crystal structure of SHMT from E. faecium with (+)-SHIN-2

This is a non-PDB format compatible entry.

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	2022-04-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	118.850, 118.850, 162.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.950
R-factor	0.1767
Rwork	0.176
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v3d
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	2.070
High resolution limit [Å]	1.950	1.950
Number of reflections	85417	13775
<I/σ(I)>	13.3
Completeness [%]	100.0
Redundancy	11.2
CC(1/2)	0.999	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M sodium cacodylate pH 6.5, 1.26 M ammonium sulfate