ISDA: 4X3G

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	9.0	298	SIAH1 AT 17.6 MG/ML WAS MIXED WITH A TWO-FOLD EXCESS OF USP19 PEPTIDE ON ICE FOR 30 MIN. BEFORE SETTING UP FOR CRYSTALLIZATION. CRYSTALS WERE GROWN AT 298K USING THE SITTING DROP METHOD BY MIXING 0.5 UL PROTEIN:PEPTIDE MIX WITH 0.5 UL WELL SOLUTION CONSISTING OF 20% PEG6000, 0.1 M BICINE PH 9.0. THE CRYSTALS WERE CRYOPROTECTED BY FIRST IMMERSION IN WELL SOLUTION MIXED WITH 15% (FINAL) ETHYLENE GLYCOL, THEN IMMERSION IN N-PARATONE.

Unit Cell:

a: 41.343 Å b: 88.092 Å c: 59.590 Å α: 90.000° β: 103.240° γ: 90.000°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.28 Solvent Content: 46.06

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	THROUGHOUT	2.3400	48.4500	15802	780	89.6800	0.2233	0.2512	82.5900

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
2.330	50.000	90.900	0.089	?	6.200	2.300	?	15818	?	?	67.920

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	2.330	2.370	58.900	?	?	?	1.500	513

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	APS BEAMLINE 19-ID	0.97918	APS	19-ID

Software