7XG9

Crystal structural of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-02-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	2.7
Spacegroup name	P 1 21 1
Unit cell lengths	37.056, 168.117, 45.424
Unit cell angles	90.00, 105.55, 90.00

Refinement procedure

Resolution	34.920 - 1.500
R-factor	0.1812
Rwork	0.180
R-free	0.20360
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.350	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.034	0.239
Rmeas	0.046	0.322
Rpim	0.031	0.215
Number of reflections	84735	4091
<I/σ(I)>	19.1	4.4
Completeness [%]	99.5	96.3
Redundancy	3.7	3.1
CC(1/2)	0.999	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	20% (w/v) PEG 4000, 0.1 M sodium citrate pH 4.5