ISDA: 9T4D

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5	289	Protein: 20mg/mL Precipitant condition: 29% PEG 6K, 0.1M NaOAc pH 5, 0.2M LiCl, 10mM MgCl2, 20mM NaF Ratio: 1:1

Unit Cell:

a: 99.950 Å b: 99.950 Å c: 34.469 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 61

Crystal Properties:

Matthew's Coefficient: 2.9 Solvent Content: 58.8

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	1.500	86.559	31464	1506	98.856	?	0.1848	24.684

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
1.5	86.56	99.8	?	?	9.7	16.7	?	31754	?	?	22.9

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	1.50	1.53	?	?	?	0.4	?	?

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	ALBA BEAMLINE XALOC	0.97926	ALBA	XALOC

Software