3V2O

Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97941
Spacegroup name	P 1 21 1
Unit cell lengths	38.266, 49.569, 41.059
Unit cell angles	90.00, 97.52, 90.00

Refinement procedure

Resolution	40.710 - 1.890
R-factor	0.2287
Rwork	0.227
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3so8
RMSD bond length	0.010
RMSD bond angle	1.146
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.890	4.090	1.890
Rmerge	0.096	0.071	0.263
Number of reflections	11646
<I/σ(I)>	9.2
Completeness [%]	95.1	98.7	76.8
Redundancy	4.3	4.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M Hepes, pH 7.5, 0.2M ammonium acetate, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K