ISDA: 6IY6

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.0	295	0.1 M CAPS (pH 10.5) 1.3 M sodium phosphate monobasic 0.5 M potassium phosphate dibasic 0.5 M lithium sulfate

Unit Cell:

a: 108.068 Å b: 108.068 Å c: 815.642 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 61

Crystal Properties:

Matthew's Coefficient: 3.57 Solvent Content: 65.50

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	3.600	30.000	60959	3073	98.54	0.2386	0.2754	?

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
3.60	50.00	98.7	?	0.103	8.18	2.9	?	61327	?	?	?

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	3.60	3.66	?	?	0.772	?	?	?

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	PAL/PLS BEAMLINE 5C (4A)	0.9793	PAL/PLS	5C (4A)

Software