X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 15% v/v PEG 400, 80 mM magnesium acetate, 50 mM sodium cacodylate pH 6.5
Unit Cell:
a: 133.419 Å b: 133.419 Å c: 89.928 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 6 2 2
Crystal Properties:
Matthew's Coefficient: 3.28 Solvent Content: 62.46
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 MOLECULAR REPLACEMENT THROUGHOUT 2.5000 48.6100 16869 1012 99.9400 0.2130 0.2590 73.7088
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
2.5 48.61 98.6 .232 ? 12.2 34.7 ? 16875 ? ? 63.860
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 2.5 2.63 96 ? ? 1.2 ? ?
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 24-ID-E 0.9791 APS 24-ID-E
Software
Software Name Purpose Version
XDS data reduction .
XDS data scaling .
EPMR phasing 16.07.1
PHENIX refinement 1.21.2_5419
PDB_EXTRACT data extraction 3.28
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