X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.2M CaCl2, 20% w/v PEG 3350
Unit Cell:
a: 43.948 Å b: 65.187 Å c: 84.665 Å α: 90.030° β: 89.980° γ: 89.990°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.78
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 1.58 42.33 113089 2014 88.24 0.1726 0.1797 14.20
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
1.58 50.00 88.0 ? ? 26.5 3.8 ? 113158 ? ? 8.92
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 1.58 1.61 80.8 ? ? 5.7 3.6 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 180 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PAL/PLS BEAMLINE 11C 0.97942 PAL/PLS 11C
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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