5Y4E

Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b

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	2014-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	186.085, 186.085, 75.354
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.688 - 2.341
R-factor	0.1939
Rwork	0.192
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rlv
RMSD bond length	0.011
RMSD bond angle	1.195
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.114	0.052	0.893
Rmeas	0.126	0.059
Rpim	0.063	0.026	0.521
Total number of observations	130532
Number of reflections	31971	1781	1562
<I/σ(I)>	7.5
Completeness [%]	97.5	97.6	97.9
Redundancy	4.1	4.9	3.8
CC(1/2)		0.997	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.1 M HEPES (pH 7.0), 1 M ammonium sulfate, 0.5% w/v PEG 8000