5HBV

Complex structure of Fab35 and mouse nAChR alpha1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	159.905, 42.024, 137.583
Unit cell angles	90.00, 116.46, 90.00

Refinement procedure

Resolution	50.010 - 2.700
R-factor	0.22938
Rwork	0.227
R-free	0.26799
RMSD bond length	0.007
RMSD bond angle	1.216
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.600
High resolution limit [Å]	2.560	6.940	2.560
Rmerge	0.129	0.047
Rmeas	0.143	0.056
Rpim	0.082	0.030	0.666
Total number of observations	93174
Number of reflections	26304
<I/σ(I)>	6.4
Completeness [%]	95.8	99.9	43.8
Redundancy	3.5	3.4	2.9
CC(1/2)		0.995	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	sodium cacodylate trihydrate, calcium acetate hydrate, PEG 8000