32JC

Structure of the pathogenic variant T186R of Human SHMT2 in a distorted tetrameric conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 65 2 2
Unit cell lengths	160.410, 160.410, 206.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.330 - 3.070
R-factor	0.3526
Rwork	0.351
R-free	0.38875
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	STARANISO (2.2.19)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.400	3.350
High resolution limit [Å]	3.070	3.070
Rmeas		2.582
Number of reflections	23348	1165
<I/σ(I)>	15	1.6
Completeness [%]	94.9
Redundancy	37.8
CC(1/2)	0.998	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	MORPHEUS screen (Molecular Dimensions), condition E1