X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 2.2 M (NH4)2SO4; 0.2 K Acetate
Unit Cell:
a: 78.680 Å b: 78.680 Å c: 56.146 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 3 2 1
Crystal Properties:
Matthew's Coefficient: 2.59 Solvent Content: 52.43
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 1.23 43.33 57664 2881 98.60 0.1862 0.2027 ?
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
1.23 56.16 98.7 0.066 ? 20.90 18.8 ? 57669 ? ? ?
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 1.23 1.3 ? ? ? ? ? ?
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 24-ID-C 0.9791 APS 24-ID-C
Software
Software Name Purpose Version
PHENIX refinement 2.0-5936
XDS data scaling .
PDB_EXTRACT data extraction .
XDS data reduction .
PHASER phasing .
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