X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.50 298 Lithium Sulfate, Tris-Hcl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 8.50
Unit Cell:
a: 90.974 Å b: 90.974 Å c: 110.420 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 2.9 Solvent Content: 56.6
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 ? 2.80 65.00 20263 1921 98.2 0.215 0.279 37.28
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
2.800 65.000 98.2 0.131 0.106 27.4 14.4 ? 20263 ? 2.000 ?
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 2.80 2.90 100.0 ? 0.498 5.1 13.9 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X29A ? NSLS X29A
Software
Software Name Purpose Version
CNS refinement 1.1
PDB_EXTRACT data extraction 1.601
DENZO data reduction .
SCALEPACK data scaling .
SOLVE phasing .
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