7WMX

Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate

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
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	85.667, 85.667, 105.262
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.926 - 2.264
R-factor	0.1937
Rwork	0.192
R-free	0.23100
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.190	74.190	2.390
High resolution limit [Å]	2.260	7.160	2.260
Rmerge	0.172	0.074	1.230
Rmeas	0.179	0.078	1.283
Rpim	0.050	0.022	0.360
Total number of observations	261414	8788	37474
Number of reflections	21276	754	3058
<I/σ(I)>	12.1	29.8	2.5
Completeness [%]	99.9	99.9	99.7
Redundancy	12.3	11.7	12.3
CC(1/2)	0.997	0.996	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	Sodium cacodylate, calcium acetate, glycerol, PEG 8000