3V2X

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-07
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	29.962, 32.750, 45.314
Unit cell angles	78.51, 75.17, 65.95

Refinement procedure

Resolution	43.550 - 1.850
R-factor	0.1823
Rwork	0.181
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3so8
RMSD bond length	0.011
RMSD bond angle	1.171
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	1.890
High resolution limit [Å]	1.850	4.560	1.850
Rmerge	0.043	0.033	0.171
Number of reflections	11884
<I/σ(I)>	18
Completeness [%]	92.1	98.8	69.1
Redundancy	3.8	3.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M Bis-Tris, pH 6.5, 0.2M NaCl, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K