8EN1

Structure of GII.4 norovirus in complex with Nanobody 30

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97626
Spacegroup name	I 1 2 1
Unit cell lengths	117.767, 62.443, 121.396
Unit cell angles	90.00, 101.24, 90.00

Refinement procedure

Resolution	57.750 - 2.400
R-factor	0.2099
Rwork	0.207
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x7e
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.750	57.750	2.490
High resolution limit [Å]	2.400	8.970	2.400
Rmerge	0.167	0.097	0.554
Rmeas	0.187	0.108	0.629
Rpim	0.082	0.045	0.292
Total number of observations	169376	3364	16172
Number of reflections	34103	693	3538
<I/σ(I)>	5.5	8.8	2.1
Completeness [%]	99.8	99	98.7
Redundancy	5	4.9	4.6
CC(1/2)	0.977	0.985	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	(0.2 M calcium chloride and 20% [w/v] PEG3350)