4L1D

Voltage-gated sodium channel beta3 subunit Ig domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	81.469, 81.469, 114.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.2053
Rwork	0.202
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x1x 1I8L AND 1F97
RMSD bond length	0.008
RMSD bond angle	1.245
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.8.2_1309)
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	0.633
Number of reflections	15675
<I/σ(I)>	13.8	2.8
Completeness [%]	99.8	100
Redundancy	5.5	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	292	1M Sodium citrate tribasic, 0.1M CHES/Sodium hydroxide pH9.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K