7EHM

Human MTHFD2 in complex with compound 21 and 15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-06
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	114.232, 114.232, 114.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.920 - 2.130
R-factor	0.1968
Rwork	0.195
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ehj
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.210
High resolution limit [Å]	2.130	4.580	2.130
Rmerge	0.061	0.032	0.555
Rmeas	0.069	0.037	0.634
Rpim	0.031	0.016	0.297
Total number of observations	209917
Number of reflections	47198	4775	4707
<I/σ(I)>	9.9
Completeness [%]	99.9	99.2	100
Redundancy	4.4	4.3	4.4
CC(1/2)		0.999	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	291.15	isopropanol, bis-Tris pH 7.1, PEG 200, PEG 3350, glycerol