4D8O

Crystal Structure of the ankyrin-B ZU5-ZU5-UPA-DD tandem

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	2010-12-18
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	75.674, 80.056, 94.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.887 - 2.203
R-factor	0.2096
Rwork	0.208
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f59 3g5b 2yvi
RMSD bond length	0.005
RMSD bond angle	0.874
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.085	0.061	0.483
Number of reflections	29634
<I/σ(I)>	11.1
Completeness [%]	99.4	90.2	100
Redundancy	6.8	5.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	18% PEG3350, 0.2M ammonium acetate, 5% n-Octyl-beta-D-glucoside, pH 7.5, vapor diffusion, hanging drop, temperature 289K