2QVK

The second Ca2+-binding domain of the Na+-Ca2+ exchanger is essential for regulation: crystal structures and mutational analysis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0, 0.9795, 0.98, 0.9718
Spacegroup name	P 21 21 2
Unit cell lengths	82.336, 76.491, 22.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.080 - 1.451
R-factor	0.16258
Rwork	0.161
R-free	0.19157
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.326
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.080	1.500
High resolution limit [Å]	1.451	1.451
Rmerge	0.038	0.447
Number of reflections	23794
<I/σ(I)>	26.4	2.85
Completeness [%]		99.4
Redundancy	99.9	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	11% (w/v) PEG-3350, 0.1 M Na acetate (pH 4.9), CBD2 at 15 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.9	293	11% (w/v) PEG-3350, 0.1 M Na acetate (pH 4.9), CBD2 at 15 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K