ISDA: 5J8S

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	281	1.6-2.0 M MgCl2 and 0.1 M bicine pH 9.0

Unit Cell:

a: 185.010 Å b: 185.010 Å c: 185.010 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: F 4 3 2

Crystal Properties:

Matthew's Coefficient: 3.33 Solvent Content: 63.1

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	1.50	37.77	41594	2202	99.89	0.16077	0.17884	17.033

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
1.50	46.25	100.0	0.086	?	14.5	12.7	?	43845	?	2.0	10.1

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	1.58	100.0	?	?	4.3	12.2	?

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	ELETTRA BEAMLINE 5.2R	1.0039	ELETTRA	5.2R

Software