6KZ0

HRV14 3C in complex with single chain antibody GGVV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	193.782, 133.256, 78.789
Unit cell angles	90.00, 93.55, 90.00

Refinement procedure

Resolution	48.350 - 2.400
R-factor	0.1872
Rwork	0.185
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2in2 2ghw
RMSD bond length	0.015
RMSD bond angle	1.128
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.460
High resolution limit [Å]	2.397	2.400
Rmerge		0.817
Rmeas	0.239	0.901
Rpim	0.093	0.376
Number of reflections	77385	5169
<I/σ(I)>	11.1	2.1
Completeness [%]	100.0	100
Redundancy	6.3
CC(1/2)	0.980	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	293	0.1 M Tris-HCl, 25% MPEG5000, 0.2 M Li2SO4