ISDA: 9RCS

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.3	293	Protein complex was 1:1.2 molar ratio CEACAM6:KY43-RBD, 2 mg/mL, in 10 mM Tris pH 7.5, 150 mM NaCl). 200 nL protein was incubated with 200 nL reservoir against an 80 uL reservoir containing 0.1 M Na acetate pH 4.3, 21.5% PEG 5K MME, 5% glycerol.

Unit Cell:

a: 70.010 Å b: 78.795 Å c: 82.339 Å α: 90.000° β: 88.639° γ: 90.000°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 4.55 Solvent Content: 72.96

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R-VALUE	3.012	82.32	8688	392	48.61	0.2584	0.3168	73.77

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
3.012	82.332	48.5	0.196	?	5.4	6.3	?	8711	?	?	61.95

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	3.012	3.388	8.3	?	?	1.6	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	DIAMOND BEAMLINE I24	0.620	Diamond	I24

Software