X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION
X-RAY DIFFRACTION
Unit Cell:
a: 48.086 Å b: 64.571 Å c: 290.255 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.87
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 ? 2.30 20.00 38070 1191 92.3 0.245 0.274 43.62
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
2.300 30.000 88.400 0.053 ? 31.893 3.500 ? 38070 ? ? ?
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 2.30 2.38 49.80 ? ? 2.00
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 CLSI BEAMLINE 08ID-1 0.92015 CLSI 08ID-1
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
SHELX phasing .
RESOLVE phasing .
REFMAC refinement 5.5.0072
PDB_EXTRACT data extraction 3.006
HKL-2000 data reduction .
HKL-2000 data scaling .
Feedback Form
Name
Email
Institute
Feedback