ISDA: 9YFP

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	281	30mM Sodium fluoride; 30mM Sodium bromide; 30mM Sodium iodide, 100mM Tris (base); BICINE, 20% v/v PEG 500* MME; 10 % w/v PEG 20000, (pH 8.5)

Unit Cell:

a: 47.725 Å b: 47.725 Å c: 71.398 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 3 2 1

Crystal Properties:

Matthew's Coefficient: 2.55 Solvent Content: 51.69

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	1.86	27.02	8299	367	99.53	0.2595	0.2883	46.62

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
1.86	27.02	99.7	0.212	?	10.3	19.9	?	8314	?	?	27.12

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	1.86	1.89	99.3	?	?	1.5	20.8	?

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 17-ID-1	0.92019	NSLS-II	17-ID-1

Software