X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 277 20% PEG4000, 0.1M Sodium Citrate
Unit Cell:
a: 106.554 Å b: 106.554 Å c: 46.383 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 48.51
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 FREE R-VALUE 2.48 53.28 20727 1082 98.82 0.2405 0.2814 88.07
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
2.48 53.28 100.0 0.150 ? 13.6 16.8 ? 20727 ? ? ?
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 2.489 2.497 100.0 ? ? 1.5 4.0 ?
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 APS BEAMLINE 24-ID-E 0.97918 APS 24-ID-E
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419+SVN
PHASER phasing .
autoPROC data processing .
Coot model building .
XDS data reduction .
XDS data scaling .
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