X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 298 10mM maltoheptaose, 0.5mM CaCl2, 19% PEG 4000, 100mM LiSO4, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 128.041 Å b: 128.041 Å c: 130.483 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 3.55 Solvent Content: 65.36
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 2.300 50 88055 8826 94.400 ? 0.216 33.450
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
2.2 500 92.3 ? 0.061 34.6 5.1 ? 98589 0 0 ?
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 2.2 2.4 ? ? 0.177 4.9 2.2 4050
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 19-ID 0.97929 APS 19-ID
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
AMoRE phasing .
CNS refinement .
PDB_EXTRACT data extraction 3.005
HKL-3000 data collection .
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