X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 294 100 mM sodium citrate, pH 5.0, 450 mM NH4H2PO4, 28% (v/v) PEG400 and 4% (v/v) DMSO
Unit Cell:
a: 72.800 Å b: 41.000 Å c: 167.700 Å α: 90.00° β: 99.40° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.61 Solvent Content: 52.92
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 2.90 32.91 11167 576 99.99 0.2306 0.2742 95.45
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
2.90 32.629 100 ? ? 8.2 1288 ? 11190 ? ? 76.13
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 2.9 3.0 100 ? ? 0.84 215 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 294 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
FREE ELECTRON LASER SLAC LCLS BEAMLINE CXI 1.56 SLAC LCLS CXI
Software
Software Name Purpose Version
BUSTER refinement 2.10.0
PHASER phasing .
CrystFEL data scaling .
CrystFEL data reduction .
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