5Y4F

Crystal Structure of AnkB Ankyrin Repeats R13-24 in complex with autoinhibition segment AI-c

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	2013-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	29.304, 127.803, 257.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.161 - 1.953
R-factor	0.1856
Rwork	0.184
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rlv
RMSD bond length	0.010
RMSD bond angle	0.993
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_2689)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.082	0.044	0.742
Number of reflections	68019	3675	3163
<I/σ(I)>	13.2
Completeness [%]	94.4	91.4	92.2
Redundancy	3.1	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.2 M CaCl2, 0.1 M HEPES (pH 7.5), 28% v/v PEG 400