X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 277 100mM sodium cacodylate pH-5.5 100mM Sodium potassium tartrate 20% PEG400
Unit Cell:
a: 186.402 Å b: 186.402 Å c: 90.177 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 42 21 2
Crystal Properties:
Matthew's Coefficient: 5.1 Solvent Content: 75.99
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 2.441 37.213 58857 2974 99.14 0.2339 0.2608 ?
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
2.44 50 99.5 0.122 ? 1.37 9.1 ? 58992 ? ? 55.98
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 2.44 2.49 92.6 ? ? 1.37 9.1 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 97 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON APS BEAMLINE 22-ID 0.9797 APS 22-ID
Software
Software Name Purpose Version
PHENIX refinement (1.11.1_2575: ???)
HKL-2000 data reduction .
SCALEPACK data scaling .
RESOLVE phasing .
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