7WMW

Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	67.815, 67.815, 130.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.601 - 2.053
R-factor	0.2363
Rwork	0.234
R-free	0.25960
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.050	2.050
Rmerge	0.064
Number of reflections	36223	36223
<I/σ(I)>	15.47
Completeness [%]	99.8
Redundancy	16
CC(1/2)	0.972	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulfate, Bis-Tris, PEG 3350