9BOX

Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2) with PLP-glycine external aldimine and 5-formyltetrahydrofolate (folinic acid)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 2 2 21
Unit cell lengths	142.980, 119.300, 134.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.820 - 2.100
R-factor	0.1636
Rwork	0.162
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.973
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.113	0.739
Rpim	0.062	0.427
Number of reflections	125654	6402
<I/σ(I)>	12.9	2.2
Completeness [%]	93.4
Redundancy	4.4	4.1
CC(1/2)	0.987	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	293.15	0.5 M Gly pH 8.6, 10 mM folinic acid, 18% PEG 3350