X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 298 20% w/v PEG4,000, 0.2M disodium malonate
Unit Cell:
a: 39.879 Å b: 56.862 Å c: 67.871 Å α: 66.460° β: 89.387° γ: 70.237°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.22 Solvent Content: 44.69
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 1.80 37.14 42870 1965 90.60 0.1757 0.2130 22.10
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
1.8 37.14 90.8 ? ? 11.9 3.9 ? 42885 ? ? 17.60
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 1.8 1.8 ? ? ? ? ? ?
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 BL12-2 0.979 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419+SVN
Blu-Ice data collection .
XDS data reduction .
Aimless data scaling .
PHASER phasing .
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