X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 1.8 M Sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 6.9
Unit Cell:
a: 149.300 Å b: 149.300 Å c: 57.270 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 3.12 Solvent Content: 60.61
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 2.35 48.92 14445 1605 99.52 0.22140 0.24856 46.186
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
2.35 48.92 99.53 ? ? 12.30 20 ? 16088 ? ? ?
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 2.35 2.43 96.97 ? ? ? ? ?
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 0.987 SOLEIL PROXIMA 1
Software
Software Name Purpose Version
REFMAC refinement refmac5
XDS data reduction .
XDS data scaling .
MOLREP phasing .
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