4HBD

Crystal structure of KANK2 ankyrin repeats

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	150.061, 65.568, 28.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.540 - 1.720
R-factor	0.1781
Rwork	0.176
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UNPUBLISHED MODEL OF SAME PROTEIN BUT DIFFERENT CRYSTAL DIMENSIONS (P21212; A B C=61.46 63.59 163.08 FOR DERIVATIVE (IODIDE? DIFFRACTION INTENSITIES INCLUDED). THAT STRUCTURE WAS SOLVED WITH SHELX SIRAS (ISOMORPHOUS "NATIVE" DATA NOT PROVIDED AS SAD DOES ALSO WORK)
RMSD bond length	0.016
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0027)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.031	37.515	1.810
High resolution limit [Å]	1.720	5.440	1.720
Rmerge		0.033	0.961
Total number of observations		6829	32689
Number of reflections	31276
<I/σ(I)>	17.7	12.4	0.8
Completeness [%]	100.0	99.7	100
Redundancy	7.1	6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG 3350, 0.2 M ammonium nitrate, VAPOR DIFFUSION, temperature 291K
2	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, 0.2 M ammonium iodide, VAPOR DIFFUSION, SITTING DROP, temperature 291K