ISDA: 6CCD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.5	291	1:1 18 mg/mL protein (in 50 mM sodium chloride, 25 mM HEPES, 0.5 mM TCEP, pH 7.8), 1.8 M ammonium sulfate, 100 mM citrate buffer, pH 5.5, with 10% silicon, 90% paraffin solution as overlay

Unit Cell:

a: 58.922 Å b: 58.922 Å c: 68.632 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 32 2 1

Crystal Properties:

Matthew's Coefficient: 2.81 Solvent Content: 56.25

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	?	THROUGHOUT	1.800	51.028	11495	1045	86.50	0.1708	0.2084	?

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
1.8	68.63	87.0	0.069	?	26.0	9.5	?	11508	?	?	?

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	9.00	68.63	99.8	?	?	69	8.2	?

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	ALS BEAMLINE 8.3.1	1.1159	ALS	8.3.1

Software