6XO1

Crystal structure of N97A mutant of human CEACAM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	C 2 2 21
Unit cell lengths	55.934, 56.879, 124.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.760 - 1.758
Rwork	0.192
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qxw
RMSD bond length	0.019
RMSD bond angle	1.916
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135 2015/10/01)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.760	1.800
High resolution limit [Å]	1.758	1.758
Rmerge	0.086
Number of reflections	19429	1087
<I/σ(I)>	19.5	2
Completeness [%]	96.1
Redundancy	11.9
CC(1/2)	0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	6% Tascimate with 25% polyethylene glycol 400 in 0.1 M MES monohydrate pH 6.0