X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.2 298 8% PEG8000, 0.1 M NaKPO4 (pH 6.2), and 0.2 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 137.222 Å b: 137.222 Å c: 126.503 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 3.88 Solvent Content: 68.26
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 ? 4.10 50.00 17134 1667 92.5 0.208 0.249 150.50
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
4.100 50.000 99.8 0.12900 ? 5.8000 5.700 ? 18452 ? 1.000 ?
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 4.10 4.25 99.6 ? ? ? 5.60 ?
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 ? APS 24-ID-E
Software
Software Name Purpose Version
SCALEPACK data scaling .
CNS refinement .
PDB_EXTRACT data extraction 3.11
DENZO data reduction .
PHASES phasing .
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