X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 295 PEG 3350, Zinc acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 43.874 Å b: 50.583 Å c: 55.347 Å α: 90.32° β: 96.32° γ: 90.40°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.2 Solvent Content: 46
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 SAD THROUGHOUT 2.01 55.05 27582 3071 96.91 0.18583 0.25159 22.500
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
2.01 55.05 97.4 0.071 ? 11.3 4.7 31355 30856 0.0 0.0 ?
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 2.01 2.08 89.6 ? ? 6.5 3.9 2849
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 19-ID 0.9793 APS 19-ID
Software
Software Name Purpose Version
REFMAC refinement 5.2.0000
SBC-Collect data collection .
HKL-2000 data scaling .
HKL-3000 phasing .
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