7RDH

Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	69.916, 240.845, 70.704
Unit cell angles	90.00, 117.30, 90.00

Refinement procedure

Resolution	43.240 - 2.750
R-factor	0.235
Rwork	0.232
R-free	0.28890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnk
RMSD bond length	0.002
RMSD bond angle	0.468
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.800
High resolution limit [Å]	2.750	2.750
Number of reflections	47866	1481
<I/σ(I)>	9
Completeness [%]	89.2
Redundancy	3.2
CC(1/2)	0.790	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2M sodium thiocyanate and 20% (w/v) polyethylene glycol 3350 as a precipitant