8GKT

Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor

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	2019-09-18
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	158.196, 158.196, 207.279
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.645 - 2.640
R-factor	0.203
Rwork	0.201
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	2.730
High resolution limit [Å]	2.640	2.640
Rmerge	0.345	2.576
Rmeas	0.359	2.719
Rpim	0.100	0.860
Number of reflections	45564	4369
<I/σ(I)>	8.4	0.9
Completeness [%]	100.0	100
Redundancy	12.5	9.7
CC(1/2)	0.990	0.389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	277	20 mM sodium phosphate pH 7.5, 100 mM NaCl, 0.2 mM EDTA, and 0.5 mM TCEP and PLP loaded His-SHMT2 concentrated to 0.01 to 0.02 mM