X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.05M Citric acid, 0.05M BIS-TRIS propane pH 5.0, 16% w/v Polyethylene glycol 3350
Unit Cell:
a: 38.035 Å b: 77.278 Å c: 58.304 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.71 Solvent Content: 28.09
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 1.80 29.45 27798 1455 92.78 0.18324 0.21716 25.542
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
1.796 58.31 93.2 0.169 ? 15.63 3.4 ? 31528 ? ? ?
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 1.796 1.83 ? ? ? 2.15 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 273 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PAL/PLS BEAMLINE 11C 0.97947 PAL/PLS 11C
Software
Software Name Purpose Version
REFMAC refinement 5.8.0258
PDB_EXTRACT data extraction .
HKL-3000 data reduction .
HKL-3000 data scaling .
HKL-3000 phasing .
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