8VQM

Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime

This is a non-PDB format compatible entry.

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	2023-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	I 21 3
Unit cell lengths	159.471, 159.471, 159.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.590 - 2.210
R-factor	0.1921
Rwork	0.190
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.582
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	2.290
High resolution limit [Å]	2.200	2.200
Rmeas	0.230	1.800
Rpim	0.060	0.720
Number of reflections	33940	33761
<I/σ(I)>	16.9
Completeness [%]	100.0
Redundancy	16.8
CC(1/2)	1.000	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris, 1M Lithium Chloride, 20% PEG6000, PH8