3KBU

Crystal structure of the ankyrin binding domain of human erythroid beta spectrin (repeats 13-15) in complex with the spectrin binding domain of human erythroid ankyrin (ZU5-ANK), EMTS derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-07
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	90.130, 98.540, 137.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 2.750
R-factor	0.22797
Rwork	0.225
R-free	0.27724
Structure solution method	SAD
Starting model (for MR)	PDB entries 3F57 3f59
RMSD bond length	0.016
RMSD bond angle	1.644
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.870
High resolution limit [Å]	2.750	2.750
Number of reflections	32570
<I/σ(I)>	16	4.4
Completeness [%]	99.8	100
Redundancy	4.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	Protein complex at 7.5 mg/mL mixed 1:1 with 0.05 M MES pH 6.5, 0.2 M ammonium acetate, 0.01 M calcium chloride, 10% PEG-4000, VAPOR DIFFUSION, HANGING DROP, temperature 283K