ISDA: 7JTU

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	Hanging drop diffusion. SsdA/SsdAI complex at 10 mg/mL was mixed 1:1 with crystallization solutions containing 20% PEG 3350, 0.1 M Bis-Tris:HCl pH 7.5 and 200 mM MgCl2. Cryopreservation was in crystallization solution with 20% glycerol.

Unit Cell:

a: 93.069 Å b: 93.069 Å c: 383.492 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: I 41 2 2

Crystal Properties:

Matthew's Coefficient: 5.15 Solvent Content: 76.13

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	SAD	THROUGHOUT	3.0000	33.3900	17248	1708	98.1100	0.2054	0.2348	79.8133

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
3.0	35.0	100	0.12	?	22.9	28.6	?	17597	?	?	79.6

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	3.0	3.03	100	?	?	?	29.6	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		80 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	ALS BEAMLINE 8.2.2	0.9790	ALS	8.2.2

Software