ISDA: 9RWO

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	298.0	20 mM Xylitol, 20 mM Myo-Inositol, 20 mM D-(-)Fructose, 20 mM L-Rhamnose monohydrate, 20 uM D-Sorbitol; 100 mM BES, Triethanolamine (TEA), pH 7.5; 31% w/v Percipitant Mix 8 (10% w/v PEG 20000, 50% w/v Trimethylpropane, 2% w/v NDSB 195)

Unit Cell:

a: 43.278 Å b: 58.777 Å c: 112.724 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 2.00 Solvent Content: 38.52

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	1.65	40.68	35373	1760	99.81	0.1776	0.2037	28.76

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
1.65	52.1	100.0	0.100	?	11.0	10.7	?	35463	?	?	21.04

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	1.65	1.68	100.0	?	?	1.7	10.7	?

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 I03	0.94054	Diamond	I03

Software