6XUX

Crystal structure of Megabody Mb-Nb207-cYgjK_NO

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 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	67.450, 84.460, 140.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 1.900
R-factor	0.190855923642
Rwork	0.189
R-free	0.23023
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w7s
RMSD bond length	0.014
RMSD bond angle	1.487
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.150	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.038	0.234
Rmeas	0.054	0.331
Number of reflections	63885	6311
<I/σ(I)>	11.1	3.4
Completeness [%]	100.0	100
Redundancy	1.999	1.999
CC(1/2)	0.998	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Sodium citrate pH 7.5, 20% PEG 8000, 20% glycerol