8FJU

Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 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	157.338, 157.338, 207.552
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.552 - 2.510
R-factor	0.2343
Rwork	0.232
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
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]	48.552	2.500
High resolution limit [Å]	2.430	2.430
Rmerge	0.406	4.427
Rmeas	0.422	4.604
Rpim	0.116	1.245
Number of reflections	57598	4409
<I/σ(I)>	7.2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.989	0.335

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