ISDA: 9OC9

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.8	294.15	0.1 M sodium acetate trihydrate, 1.9 M ammonium sulfate, 30% (v/v) glycerol

Unit Cell:

a: 90.636 Å b: 90.636 Å c: 123.060 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 32 2 1

Crystal Properties:

Matthew's Coefficient: 3.65 Solvent Content: 66.33

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	1.71	48.47	60798	3123	99.94	0.16831	0.19406	24.481

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
1.71	48.47	99.9	?	?	10.1	8.63	?	63921	?	?	?

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	1.71	1.74	99.6	?	?	?	?	?

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	LNLS SIRIUS BEAMLINE MANACA	0.97714	LNLS SIRIUS	MANACA

Software