ISDA: 9S3I

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293.15	Crystallization cocktail: 0.1 M HEPES, 70% v/v 2-Methyl-2,4-pentanediol (pH 7.5) Additive cocktail: 0.2% w/v 1,4-diaminobutane, 0.2% w/v 1,8-diaminooctane, 0.2% w/v cadaverine, 0.2% w/v cystamine dihydrochloride, 0.2% w/v Spermidine, 0.02 M HEPES sodium (pH 6.8) Mixed in 3.5:1:1 (protein/reservoir/additives)

Unit Cell:

a: 69.221 Å b: 69.221 Å c: 185.186 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 41 21 2

Crystal Properties:

Matthew's Coefficient: 1.85 Solvent Content: 33.54

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	1.64	27.72	56115	2791	99.96	0.2068	0.2379	?

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
1.64	48.95	100.0	0.112	?	16.5	25.0	?	56257	?	?	?

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	1.64	1.70	?	100.0	?	?	16.7	?

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	MAX IV BEAMLINE BioMAX	0.7293	MAX IV	BioMAX

Software