8FJT

Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 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	2020-11-12
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	160.389, 160.389, 208.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 2.470
R-factor	0.244
Rwork	0.241
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.567
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]	48.862	2.540
High resolution limit [Å]	2.470	2.470
Rmerge	0.294	4.016
Rmeas	0.306	4.180
Rpim	0.085	1.151
Number of reflections	57316	4379
<I/σ(I)>	9.9
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.995	0.382

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 10 to 0.02 mM