X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7 291 100mM Bis-Tris pH 7.0, 25% PEG3350
Unit Cell:
a: 73.770 Å b: 113.060 Å c: 162.710 Å α: 91.590° β: 93.790° γ: 89.980°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 49.56
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 2.3000 81.1460 226479 11460 97.2200 0.1643 0.2066 31.2597
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
2.300 93.980 97.200 0.084 0.084 11.800 3.900 226540 226540 ? ? 22.860
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 2.300 2.420 96.200 ? 0.036 ? 3.800 ?
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 21-ID-G 0.9786 APS 21-ID-G
Software
Software Name Purpose Version
PHENIX refinement 1.11.1_2575
SCALA data scaling 3.3.22
PDB_EXTRACT data extraction 3.24
iMOSFLM data reduction .
PHENIX phasing .
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