ISDA: 3TQF

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.2	298	0.2 M sodium chloride, 0.1 M Na/K phosphate, pH 6.2, 20% PEG1000, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Unit Cell:

a: 149.451 Å b: 149.451 Å c: 149.451 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 41 3 2

Crystal Properties:

Matthew's Coefficient: 3.39 Solvent Content: 63.73

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	SAD	THROUGHOUT	2.80	41.45	14473	730	99.28	0.25046	0.26509	46.604

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
2.80	105.68	99.6	?	0.076	47.4	23.0	14624	14561	0	-3	?

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	2.80	2.85	99.3	?	0.744	3.9	17.6	713

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 BEAMLINE X4C	0.979	NSLS	X4C

Software