X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291.15 1.3 M ammonium tartrate dibasic; 0.1 M bis-tris propane pH 7.0 with protein: condition 1:1 (protein: condition)
Unit Cell:
a: 74.190 Å b: 92.534 Å c: 183.626 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.18 Solvent Content: 43.65
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 FREE R-VALUE 2.50 44.86 83990 4324 99.40 0.1876 0.2215 58.15
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
2.5 44.87 99.4 0.094 ? 12 3.4 ? 84008 ? ? 50.87
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 2.5 2.589 ? ? ? 1.8 ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 120 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 23-ID-D 0.9793 APS 23-ID-D
Software
Software Name Purpose Version
PHENIX refinement 1.15.2_3472
XDS data reduction .
HKL-2000 data reduction .
XDS data scaling .
HKL-2000 data scaling .
CRANK2 phasing .
Coot model building .
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