X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.6 293 12 mg/ml protein, 1.6 M ammonium sulfate, 0.1 M MES, 12% v/v dioxane, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Unit Cell:
a: 75.847 Å b: 133.008 Å c: 164.306 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.19 Solvent Content: 43.73
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 1.50 50.00 123190 6478 97.92 0.15737 0.17914 15.625
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
1.5 50 98.5 0.048 ? 16.2 6.5 132508 130519 -3 -3 ?
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 1.5 1.55 97.8 ? ? 3.2 ? ?
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 17-ID 1.00 APS 17-ID
Software
Software Name Purpose Version
ADSC data collection Quantum
PHENIX model building .
REFMAC refinement 5.2.0019
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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