4NSD

Crystal Structure of CBARA1 in the Ca2+ Binding Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9791
Spacegroup name	I 21 21 21
Unit cell lengths	99.283, 105.804, 156.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.380 - 2.700
R-factor	0.216
Rwork	0.212
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.085
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	22533
Completeness [%]	99.0	98.8
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	277	43% reservoir solution composed of (w/v) 2-methyl-2,4-pentanediol, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K