X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 8.0% v/v ethylene glycol; 0.1M HEPES pH 7.25; 10% w/v PEG 10K
Unit Cell:
a: 145.596 Å b: 145.596 Å c: 145.596 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 2 3
Crystal Properties:
Matthew's Coefficient: 3.53 Solvent Content: 65.16
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 2.83 72.90 11690 666 99.99 0.21107 0.24823 69.606
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
2.83 72.90 100.0 0.282 0.282 13.0 41.8 ? 12364 ? ? ?
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 2.835 2.884 100.0 ? 3.537 1.5 43.8 ?
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 ESRF BEAMLINE ID23-1 0.8856 ESRF ID23-1
Software
Software Name Purpose Version
autoPROC data reduction .
XDS data reduction (VERSION Jun 30
autoPROC data scaling (Version 1.1.7)
Aimless data scaling .
REFMAC refinement 5.8.0430
XDS data scaling .
PDB_EXTRACT data extraction .
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