4JGJ

Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	H 3
Unit cell lengths	101.168, 101.168, 75.729
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.920 - 2.651
R-factor	0.2041
Rwork	0.195
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.277
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.057	0.026
Number of reflections	8392
<I/σ(I)>	9.2
Completeness [%]	99.9	99.3	100
Redundancy	7.6	7.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Sitting Drop Vapor Diffusion	7	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (0.2M Sodium Chloride, 0.1M Sodium Citrate:Citric Acid (pH 5.5), 40%(v/v) 1,2-Propanediol); Cryoprotection (Reservoir + final concentration of 20%(v/v) DMSO), Sitting Drop Vapor Diffusion, temperature 298K