9NSM

Crystal structure of the bat rotavirus apo P[10] VP8* receptor binding domain at 1.85 angstrom resolution

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	2024-04-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	158.345, 92.996, 42.534
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	45.840 - 1.850
R-factor	0.1951
Rwork	0.195
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.838
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	BALBES
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.500	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.191	0.929
Rmeas	0.221	0.998
Rpim	0.089	0.361
Number of reflections	59422	14416
<I/σ(I)>	7.4	1.8
Completeness [%]	97.9	96.75
Redundancy	7.4	7.44
CC(1/2)	0.993	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Crystallization buffer 0.2 mM lithium sulfate, 0.1 M Tris, pH 8.5 25% PEG 4000, 10 % glycerol Protein buffer 250 mM NaCl, 20 mM Tris, pH 8.0, 10 % glycerol, 300 mM imidazole