X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 0.1 M Bis-Tris propane, 20 % PEG 3350, 0.2 M tri-sodium citrate
Unit Cell:
a: 108.378 Å b: 78.54 Å c: 171.575 Å α: 90° β: 91.43° γ: 90°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.27 Solvent Content: 62.39
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 2.84 32.47 42742 2061 62.1 0.252 0.265 73.23
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
2.86 108.34 92.8 ? ? 8.6 4.4 ? 42775 ? ? ?
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 2.86 3.225 ? ? ? ? ? ?
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 SLS BEAMLINE X10SA 0.999880 SLS X10SA
Software
Software Name Purpose Version
BUSTER refinement 2.11.7
XDS data reduction .
Aimless data scaling .
STARANISO data scaling .
BUSTER phasing .
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