6S4F

Structure of human MTHFD2 in complex with TH9619

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.09
Spacegroup name	P 65
Unit cell lengths	116.895, 116.895, 112.965
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.400 - 2.200
R-factor	0.18597
Rwork	0.184
R-free	0.22534
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.702
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.400	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	44494	3820
<I/σ(I)>	13.9
Completeness [%]	100.0
Redundancy	20.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES pH 7.6, 75 % v/v MPD