7TCW

Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus trichosporium OB3b, H210S mutant

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	2021-09-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.7220
Spacegroup name	C 2 2 21
Unit cell lengths	50.411, 215.180, 215.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.670
R-factor	0.2094
Rwork	0.206
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tcr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.080	49.080	2.740
High resolution limit [Å]	2.670	11.930	2.670
Rmerge	0.082	0.042	0.455
Rmeas	0.097	0.049	0.546
Total number of observations	216584
Number of reflections	34063	707	4264
<I/σ(I)>	11.04	22.36	2.84
Completeness [%]	98.6	97.8	90.7
Redundancy	3.411	3.727	3.292
CC(1/2)	0.994	0.997	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283.15	0.2 M lithium sulfate, 0.1 M Bis-tris propane, pH 7.0, 20-26% w/v PEG3350