4RLY

Crystal Structure of AnkB Ankyrin Repeats (R1-R9) in Complex with Nav1.2 Ankyrin Binding Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 42 2 2
Unit cell lengths	102.295, 102.295, 106.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.229 - 2.503
R-factor	0.19
Rwork	0.188
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.543
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.077	0.039	0.748
Number of reflections	19914
<I/σ(I)>	11.8
Completeness [%]	99.4	93.2	100
Redundancy	9.5	8.8	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	1.8 M ammonium sulfate, 6-8% dioxane, and 0.1 M MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K