6OUG

Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 2
Unit cell lengths	49.420, 49.380, 122.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	122.380 - 3.010
R-factor	0.2846
Rwork	0.273
R-free	0.30060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bmz
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	122.400	3.118
High resolution limit [Å]	3.000	3.000
Number of reflections	6417	992
<I/σ(I)>	5.79	1.24
Completeness [%]	99.8	99.5
Redundancy	12.5
CC(1/2)	0.997	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	0.04M Sodium chloride, 0.04M Tris pH 8.0, 27% v/v PEG 350 MME, spiroadamantyl amine inhibitor