X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8 293 20% PEG 3350, 0.2M Calcium chloride, pH 8.0
Unit Cell:
a: 89.967 Å b: 89.967 Å c: 136.406 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 2.81 Solvent Content: 56.29
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 1.90 37.46 17009 830 99.98 0.1374 0.1733 ?
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
1.76 37.46 100.0 0.292 ? 5.7 10.3 ? 21304 ? ? ?
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 1.76 1.86 ? 100.0 ? ? 10.2 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 298 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS-II BEAMLINE 17-ID-2 0.97935 NSLS-II 17-ID-2
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
Aimless data scaling .
XDS data reduction .
PDB_EXTRACT data extraction .
PHENIX phasing .
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