32JD

Structure of the pathogenic variant P157S of Human SHMT2 in a distorted tetrameric conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0596
Spacegroup name	P 65 2 2
Unit cell lengths	162.134, 162.134, 207.382
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	140.410 - 2.700
R-factor	0.25485
Rwork	0.255
R-free	0.25943
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.009
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.410	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.202	2.093
Number of reflections	44777	4610
<I/σ(I)>	14.2	1.8
Completeness [%]	100.0
Redundancy	21.3
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	MORPHEUS screen (Molecular Dimensions) condition C4