7FC0

Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9780
Spacegroup name	P 43
Unit cell lengths	173.968, 173.968, 61.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.510 - 2.643
R-factor	0.18
Rwork	0.178
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dz9
RMSD bond length	0.009
RMSD bond angle	1.162
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.510	2.738
High resolution limit [Å]	2.643	2.643
Rmerge	0.200
Rmeas	0.210
Number of reflections	54150	5328
<I/σ(I)>	6.46
Completeness [%]	99.8
Redundancy	13
CC(1/2)	0.993	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	12% PEG20000, 160 mM MES pH6.5