ISDA: 4EAH

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	298	11% PEG 10000, 0.2 M magnesium acetate, 0.1 M MES, pH 6.5, Silver Bullet 33 (0.20% w/v D-(+)-Maltose monohydrate, 0.20% w/v D-(+)-Melibiose monohydrate, 0.20% w/v D-(+)-Raffinose pentahydrate, 0.20% w/v D-(+)-Trehalose dihydrate, 0.20% w/v Stachyose hydrate, 0.02 M HEPES sodium pH 6.8), Silver Bullet 70 (0.2% w/v Anthrone, 0.2% w/v Benzidine, 0.2% w/v N-(2-Acetamido)-2-aminoethanesulfonic acid, 0.2% w/v Phenylurea, 0.2% w/v -Alanine, 0.02 M HEPES sodium pH 6.8), VAPOR DIFFUSION, HANGING DROP, temperature 298K

Unit Cell:

a: 125.980 Å b: 126.050 Å c: 129.620 Å α: 90.00° β: 93.17° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.92 Solvent Content: 57.81

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	?	3.400	19.819	55408	2894	99.78	0.2325	0.2773	?

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
3.4	19.87	99.2	?	0.103	10.74	?	55841	55419	0	-3.0	?

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	3.4	3.5	99.9	?	?	2.62	3.84	4626

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 23-ID-D	0.979	APS	23-ID-D

Software