ISDA: 29CU

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	277.15	Crystals were grown by sitting drop vapor diffusion at 4 degrees C. Drops were set up by mixing 1 uL of protein solution (10 mg/mL in Y sodium phosphate buffer, pH 7.5) with 1 uL of reservoir solution (0.2 M Sodium Fluoride, 20% (w/v) PEG 3350, unbuffered). The drops were incubated for 9 months. The setup was performed using a TTP Labtech Mosquito liquid handling robot.

Unit Cell:

a: 38.502 Å b: 61.707 Å c: 88.128 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 1.83 Solvent Content: 32.88

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	1.13	50.55	63583	3358	83.68	0.12105	0.14444	8.843

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
1.13	50.55	84.1	0.057	?	21.8	11.1	?	67263	?	?	?

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	1.13	1.2	11.2	?	?	1.4	?	?

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	0.97625	Diamond	I03

Software