X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 100 mM MOPS, 1.25 M magnesium sulfate
Unit Cell:
a: 105.679 Å b: 105.679 Å c: 88.730 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: ? Solvent Content: ?
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 FREE R-VALUE 4.553 32.23 2758 152 65.42 0.1644 0.1735 336.52
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
4.553 63.705 86.1 ? ? 10.9 10.7 ? 2758 ? ? 322.52
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 4.553 5.132 56.6 ? ? ? 11.0 ?
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 17-ID 1.00743 APS 17-ID
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
autoPROC data reduction .
STARANISO data scaling .
AutoSol phasing .
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