7TCR

Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b at 2.62 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	2021-02-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.722
Spacegroup name	C 2 2 21
Unit cell lengths	49.780, 215.640, 214.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.500 - 2.620
R-factor	0.2056
Rwork	0.204
R-free	0.23740
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	XDS
Phasing software	autoSHARP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.714
High resolution limit [Å]	2.620	2.620
Rmerge	0.124	0.804
Rmeas	0.127	0.822
Rpim	0.025	0.169
Number of reflections	35237	3396
<I/σ(I)>	26.12	5.47
Completeness [%]	99.3	99.12
Redundancy	23.1	23
CC(1/2)	0.996	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283.15	0.2 M lithium sulfate, 0.1 M HEPES, pH 7, Bis-Tris, pH 6.5, 25% w/v PEG3350