7WMZ

Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.987
Spacegroup name	I 1 2 1
Unit cell lengths	70.928, 104.294, 318.532
Unit cell angles	90.00, 94.08, 90.00

Refinement procedure

Resolution	19.516 - 1.916
R-factor	0.3573
Rwork	0.355
R-free	0.40290
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]	19.516	1.930
High resolution limit [Å]	1.910	1.910
Rmerge	0.076
Number of reflections	339073	15173
<I/σ(I)>	15.94
Completeness [%]	99.4
Redundancy	6.4
CC(1/2)	0.973	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium thiocyanate, calcium acetate, glycerol, PEG 8000