X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 42.5 % PEG3350, 0.1M Li2So4, 0.1 Tris-HCl (pH 8.5)
Unit Cell:
a: 94.88 Å b: 94.88 Å c: 246.77 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 2.59 Solvent Content: 52.43
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 2.04 29.07 42730 2156 99.9 0.2079 0.2399 60.12
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
2.04 123.42 100 ? ? 4.94 129.5 ? 42795 ? ? ?
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 2.04 2.05 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 293.15 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON MAX IV BEAMLINE BioMAX 0.98 MAX IV BioMAX
Software
Software Name Purpose Version
BUSTER refinement 2.11.8
CrystFEL data reduction .
CrystFEL data scaling .
autoBUSTER phasing .
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