X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 0.1M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0M Ammonium sulfate
Unit Cell:
a: 46.206 Å b: 46.206 Å c: 68.989 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41 2 2
Crystal Properties:
Matthew's Coefficient: 1.66 Solvent Content: 26.03
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 AB INITIO PHASING THROUGHOUT 1.45 46.21 13145 714 99.99 0.17735 0.20778 29.100
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
1.45 46.21 100.0 0.091 ? 16.9 25.4 ? 13895 ? ? ?
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 1.45 1.47 100 ? ? ? 26.9 ?
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 AUSTRALIAN SYNCHROTRON BEAMLINE MX2 0.953725 Australian Synchrotron MX2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
Aimless data scaling 0.8.2
PDB_EXTRACT data extraction .
XDS data reduction .
PHASER phasing .
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