X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.4 292 40 mM sodium cacodylate, pH 5.4, 100 mM calcium acetate, 10 mM glycyl-glycine, 10 mM taurine, 8% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Unit Cell:
a: 119.830 Å b: 177.816 Å c: 61.793 Å α: 90.00° β: 89.87° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 3.15 Solvent Content: 60.90
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 2.80 46.76 58831 3077 97.32 0.24138 0.27564 37.470
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
2.8 50.01 100.0 ? ? ? ? 63086 63086 0.38 0.38 ?
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 2.80 2.90 100 ? ? ? ? ?
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 0.97923 APS 24-ID-E
Software
Software Name Purpose Version
HKL-2000 data collection .
PHASER phasing .
REFMAC refinement 5.6.0117
HKL-2000 data reduction .
HKL-2000 data scaling .
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