6XV8

Crystal structure of Megabody Mb-Nb207-c7HopQ_G10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	79.241, 155.049, 89.754
Unit cell angles	90.00, 91.73, 90.00

Refinement procedure

Resolution	79.210 - 3.150
R-factor	0.2566
Rwork	0.255
R-free	0.29660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp2
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.230	3.260
High resolution limit [Å]	3.150	3.150
Rmerge	0.040	0.514
Rmeas		0.726
Number of reflections	36041	3735
<I/σ(I)>	7.9	1.3
Completeness [%]	96.1	99.8
Redundancy	1.99	1.99
CC(1/2)	0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M MgCl2, 0.1 M HEPES pH 7.5, 19% PEG 4000