6BKK

Influenza A M2 transmembrane domain bound to amantadine

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	2016-03-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 1 21 1
Unit cell lengths	44.220, 52.050, 48.720
Unit cell angles	90.00, 108.17, 90.00

Refinement procedure

Resolution	46.291 - 1.995
R-factor	0.2314
Rwork	0.227
R-free	0.27030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbw
RMSD bond length	0.001
RMSD bond angle	0.324
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]	52.050	2.050
High resolution limit [Å]	1.995	1.995
Rmerge	0.199	0.779
Number of reflections	13454	942
<I/σ(I)>	4.6	2.2
Completeness [%]	93.5	88.8
Redundancy	2.2	2.1
CC(1/2)	0.974	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M NaCl, 0.02 M sodium citrate pH 5.6, 11% w/v PEG 3350, monoolein, amantadine