3US9

Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	110
Detector technology	PIXEL
Collection date	2011-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	80.670, 152.550, 79.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.017 - 2.680
Rwork	0.234
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qvm 3gin
RMSD bond length	0.004
RMSD bond angle	0.813
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	43.020	2.850
High resolution limit [Å]	2.600	4.870	2.680
Rmerge	0.079
Number of reflections	14002
<I/σ(I)>	6.1
Completeness [%]	90.0	99.3	16.4
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	292	7% PEG 8000, 0.2M Amonium Sulphate, 10% Sucrose, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 292K