X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 26% (w/v) PEG 3,350 200 mM Sodium fluoride 100 mM Bicine pH 8.5
Unit Cell:
a: 74.384 Å b: 74.852 Å c: 97.412 Å α: 69.450° β: 73.400° γ: 85.780°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.45
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 1.90 47.32 145117 7312 97.68 0.1573 0.1864 29.17
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
1.9 47.32 97.9 ? ? 5.7 3.6 ? 145409 ? ? 25.03
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 1.9 1.93 ? ? ? ? ? ?
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 SOLEIL BEAMLINE PROXIMA 2 0.9801 SOLEIL PROXIMA 2
Software
Software Name Purpose Version
XDS data reduction .
SCALA data scaling .
Coot model building .
MOLREP phasing .
PHENIX refinement 1.20rc3
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