5L2B

Structure of CNTnw N149S, E332A in an outward-facing state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 61
Unit cell lengths	121.040, 121.040, 277.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.058 - 3.800
R-factor	0.2533
Rwork	0.251
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l26
RMSD bond length	0.003
RMSD bond angle	0.724
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.060	4.100
High resolution limit [Å]	3.800	3.800
Rpim	0.080	0.540
Number of reflections	22489
<I/σ(I)>	6.2	2
Completeness [%]	99.4	99.8
Redundancy	4.3	4.3
CC(1/2)	0.990	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	200 mM choline chloride, 14% Poly(ethylene glycol) monomethyl ether 2000