6BMZ

Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor

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	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	49.620, 72.590, 99.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.591 - 2.634
R-factor	0.2307
Rwork	0.226
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbw
RMSD bond length	0.002
RMSD bond angle	0.437
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.590	2.760
High resolution limit [Å]	2.630	2.630
Rmerge	0.164	0.654
Number of reflections	11007	1442
<I/σ(I)>	8.7	3
Completeness [%]	99.3	98.9
Redundancy	7	6.9
CC(1/2)	0.997	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	0.1 M HEPES pH 7, 30% v/v PEG 400, monoolein, spiroadamantane amine