5Y4D

Crystal Structure of AnkB Ankyrin Repeats in Complex with AnkR/AnkB Chimeric Autoinhibition Segment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	H 3 2
Unit cell lengths	179.787, 179.787, 227.098
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.806 - 3.300
R-factor	0.1878
Rwork	0.183
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rlv
RMSD bond length	0.007
RMSD bond angle	1.011
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.103	0.043	0.721
Total number of observations	111753
Number of reflections	20949	1057	1025
<I/σ(I)>	9.3
Completeness [%]	97.6	91.8	98.9
Redundancy	5.3	4.9	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	4 M ammonium acetate, 0.1 M Bis-Tris propane (pH 7.0)