X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 10%(w/v) polyethylene glycol (PEG) 8K,0.1M HEPES pH 7.5, 0.2Mcalcium acetate
Unit Cell:
a: 61.877 Å b: 95.292 Å c: 161.969 Å α: 72.84° β: 89.15° γ: 71.62°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.48 Solvent Content: 68.48
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 SAD FREE R-VALUE 2.5964 43.047 90973 2017 88.14 0.2156 0.2419 ?
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
2.596 50 89.3 0.128 ? 11.64 3.5 ? 91018 ? ? ?
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 2.596 2.69 75.2 ? ? 2.023 2.9 ?
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 23-ID-D 1.0 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement (dev_2264: ???)
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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