7TCX

Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.21 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.722
Spacegroup name	C 2 2 21
Unit cell lengths	50.655, 216.025, 216.148
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 2.210
R-factor	0.1842
Rwork	0.183
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tcr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.330	48.330	2.270
High resolution limit [Å]	2.210	9.890	2.210
Rmerge	0.113	0.059	1.055
Rmeas	0.122	0.064	1.140
Total number of observations	784357
Number of reflections	60054	1277	7838
<I/σ(I)>	12.31	25.78	2.81
Completeness [%]	98.9	99.2	92.4
Redundancy	6.921	7.26	6.905
CC(1/2)	0.996	0.995	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M lithium sulfate, 0.1 M Bis-Tris propane, pH 7.0, 20-26% w/v PEG3350