ISDA: 11TE

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.0	291	Proplex G4: 100 mM Tris, pH 8.0, 2 M Ammonium sulfate. BopeA.19523.a.B2.PW39511 at 21.3 mg/mL. 2 mM AMP and 4 mM MgCl2 added prior to crystallization but no electron density was observed for these. plate 20737 G4 drop 2, Puck: PSL-1515, Cryo: 70% crystallant + 30% glycerol

Unit Cell:

a: 83.269 Å b: 83.269 Å c: 63.770 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 41 21 2

Crystal Properties:

Matthew's Coefficient: 2.25 Solvent Content: 45.25

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	1.55	43.26	33087	1628	99.95	0.1947	0.2186	?

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
1.55	43.26	100.0	0.139	?	22.1	26.1	?	33158	?	?	?

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	1.55	1.58	?	100.0	?	?	26.1	?

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	NSLS-II BEAMLINE 19-ID	0.9786	NSLS-II	19-ID

Software