ISDA: 9NS2

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	293	Protein solution (6.5 mg/ml in 20 mM Tris pH 7.5, 50 mM NaCl, 2mM CTP, 5mM magnesium chloride) was mixed 1.5:1 with well solution (11% w/v PEG 8000, 100 mM HEPES pH 7.5, 7% v/v ethylene glycol). Cyro condition was well solution with 15% glycerol added

Unit Cell:

a: 78.865 Å b: 69.736 Å c: 118.659 Å α: 90.000° β: 96.563° γ: 90.000°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.87 Solvent Content: 57.1

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	FREE R-VALUE	1.95	32.58	90796	3901	98.94	0.1866	0.2304	57.77

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
1.95	49.03	99.2	?	?	15.20	3.77	?	46482	?	?	36.07

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	1.95	2.07	96.0	?	?	1.71	3.53	?

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	APS BEAMLINE 22-ID	0.9184	APS	22-ID

Software