X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.2 M Sodium citrate tribasic dihydrate 0.1 M Tris 8.5 30 % v/v PEG 400
Unit Cell:
a: 118.256 Å b: 118.256 Å c: 209.792 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 3.45 Solvent Content: 64.37
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 1.80 38.83 52445 2687 99.99 0.1741 0.1815 ?
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
1.8 38.83 99.99 ? ? 11.78 6.3 ? 158800 ? ? ?
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 1.80 1.83 99.96 ? ? 0.92 ? ?
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 SLS BEAMLINE X06DA 1 SLS X06DA
Software
Software Name Purpose Version
PHENIX refinement ("2.0_5936": ???)
PDB_EXTRACT data extraction .
XDS data reduction .
XDS data scaling .
PHASER phasing .
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