X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 460mM K-Na-Tartrate, 35% Glycerol, 95mM HEPES, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 105.598 Å b: 105.598 Å c: 71.328 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.60 Solvent Content: 52.75
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 SAD THROUGHOUT 2.70 80.00 11779 636 98.99 0.21022 0.26790 39.436
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
2.70 80.00 98.9 ? 0.099 8.0 3.7 12416 46063 -3.0 ? ?
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 2.70 2.80 99.4 ? 0.482 2.6 3.7 1231
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 0.97917 APS 24-ID-E
Software
Software Name Purpose Version
ADSC data collection Quantum
SHELX model building .
REFMAC refinement 5.5.0102
DENZO data reduction .
SCALEPACK data scaling .
SHELX phasing .
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