ISDA: 37CB

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.5	298	Crystallized by sitting drop vapor diffusion with reservoirs of 0.6 ml and drop volumes of 6 ul. Reservoirs were 20% PEG 3350 with 0.1 M HEPES at pH 6.0. Drops were equal amounts of the reservoir and a 30 mg/ml stock protein solution. The solution was the raw growth broth for the Aspergillus expression system and the protein was not otherwise purified,

Unit Cell:

a: 69.865 Å b: 85.268 Å c: 86.741 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: I 2 2 2

Crystal Properties:

Matthew's Coefficient: 2.03 Solvent Content: 39.38

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	1.45	60.81	46144	2287	99.86	0.1641	0.2352	41.04

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
1.45	61.0	99.9	.334	.336	10.4	62.8	?	46198	?	?	23.17

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	1.45	1.47	97.8	?	3.7	0.6	38.7	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		173 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	ALS BEAMLINE 8.3.1	1.0	ALS	8.3.1

Software