X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 298 100 mM imidazole/malate, pH 5.0, 75% ammonium sulfate (saturated)
Unit Cell:
a: 86.508 Å b: 106.499 Å c: 141.698 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 2 2 2
Crystal Properties:
Matthew's Coefficient: 3.52 Solvent Content: 65.07
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 1.93 42.57 21565 1999 86.59 0.2178 0.2426 ?
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
1.93 42.57 87.7 0.075 ? 16.3 6 ? 21581 ? ? ?
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 1.93 1.98 ? ? ? ? ? ?
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 SSRL BEAMLINE BL9-2 0.979 SSRL BL9-2
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
XDS data scaling .
AutoSol phasing .
XDS data reduction .
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