X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 1.6 M potassium sodium tartrate, 0.1 M MES pH 6.5
Unit Cell:
a: 94.228 Å b: 94.228 Å c: 122.316 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 2.70 Solvent Content: 54.45
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 1.3500 30.8300 45897 2295 99.9200 0.1849 0.2125 38.6293
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
1.35 30.83 99.7 0.094 ? 13.5 19.8 ? 45930 ? ? 20.6
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 1.35 1.38 98.8 ? ? ? 17.7 ?
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 NSLS-II BEAMLINE 17-ID-2 0.9793 NSLS-II 17-ID-2
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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