X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 298 0.2M NaCl, 25% PEG3350, 0.1M Na Citrate pH5.6, cryo paratone
Unit Cell:
a: 79.028 Å b: 100.875 Å c: 53.031 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 2
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.76
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 1.808 50.438 37209 1865 99.34 0.1637 0.1914 ?
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
1.81 62.21 100 0.073 ? 17.3 6.1 ? 19775 ? ? ?
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 1.81 2.02 100 ? ? 3.2 6.1 ?
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-F 0.97872 APS 21-ID-F
Software
Software Name Purpose Version
PHENIX refinement (dev_2733: ???)
XDS data reduction .
Aimless data scaling .
PHENIX phasing .
PHENIX model building .
Coot model building .
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