X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293 100 mM MOPS, 1.25 M magnesium sulfate
Unit Cell:
a: 65.370 Å b: 67.692 Å c: 71.762 Å α: 93.940° β: 104.650° γ: 101.710°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 7.73 Solvent Content: 84.08
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 MOLECULAR REPLACEMENT FREE R-VALUE 7.11 40.71 1188 51 68.24 0.1638 0.2541 182.71
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
7.105 68.868 78.9 ? ? 4.5 2.8 ? 1201 ? ? -92.34
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 7.105 8.435 ? ? ? ? ? ?
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 1.000000 APS 17-ID
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
autoPROC data reduction .
STARANISO data scaling .
PHASER phasing .
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