X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 295 PEG 3350, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 36.741 Å b: 43.244 Å c: 61.674 Å α: 90.00° β: 96.13° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.96 Solvent Content: 36.9
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 1.60 61.31 20973 1123 86.50 0.17331 0.20144 15.174
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
1.60 61.31 87.9 0.072 ? 11.1 7.0 25483 22399 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 1.60 1.66 45.9 ? ? 4.1 5.2 1156
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-BM 0.97916 APS 19-BM
Software
Software Name Purpose Version
REFMAC refinement 5.2.0005
SBC-Collect data collection .
HKL-2000 data scaling .
HKL-3000 phasing .
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