ISDA: 11OX

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	291	12.5% (v/v) MPD, 12.5% PEG 1000, 12.5% (w/v) PEG 3350, 0.05M Sodium HEPES, 0.05M MOPS pH 7.5, 0.02 M D-Glucose, 0.02 M D-Mannose, 0.02 M D-Galactose, 0.02 M L-Fucose, 0.02 M D-Xylose, 0.02 M N-Acetyl-D-Glucosamine, 0.5 mM Manganese(II) chloride tetrahydrate, 0.5 mM Cobalt chloride hexahydrate, 0.5 mM Nickel chloride hexahydrate, 0.5 mM Zinc acetate dihydrate

Unit Cell:

a: 45.638 Å b: 44.472 Å c: 63.748 Å α: 90.00° β: 106.68° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.31 Solvent Content: 46.83

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	1.70	20.89	26690	1299	98.27	0.1911	0.2402	?

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
1.70	25.17	99.1	0.053	?	28.3	13.8	?	26884	?	?	?

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	1.70	1.73	?	96.9	?	?	7.6	?

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
SEALED TUBE	BRUKER D8 QUEST	1.5418	?	?

Software