X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? ? 0.2 M POTASSIUM SULFATE 20 % (W/V) POLYETHYLENE GLYCOL 3350
Unit Cell:
a: 46.090 Å b: 47.463 Å c: 53.620 Å α: 83.15° β: 73.41° γ: 65.87°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.33 Solvent Content: 47.2
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 THROUGHOUT 1.40 51.39 72006 3804 96.85 0.14958 0.17150 ?
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
1.40 42.93 97.2 0.20 ? 3.50 4.6 ? 76088 ? 3.5 ?
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 1.40 1.48 95.6 ? 1.30 4.6
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 1 ? SOLEIL PROXIMA 1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0071
XDS data reduction .
XDS data scaling .
PHASER phasing .
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