ISDA: 3VCZ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.6	295	Protein: 7.5 mg/mL in 10 mM Tris-HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization: The JCSG+ Suite (condition D11: 0.14 M CaCl2, 0.07 M Na acetate pH 4.6, 14 % (v/v) isopropanol, 30 % (v/v) glycerol) , VAPOR DIFFUSION, SITTING DROP, temperature 295K

Unit Cell:

a: 71.877 Å b: 86.580 Å c: 68.162 Å α: 90.00° β: 90.67° γ: 90.00°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.15 Solvent Content: 42.77

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	THROUGHOUT	1.80	29.13	36476	1923	99.33	0.15660	0.18286	21.685

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
1.80	30.00	99.6	0.057	?	20.78	3.8	38405	38405	?	-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	1.80	1.83	94.0	?	?	2.64	2.9	?

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 21-ID-D	0.99984	APS	21-ID-D

Software