X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.85 M Lithium chloride, 0.1 M Tris HCl pH 7.5, 28% PEG 8000
Unit Cell:
a: 43.928 Å b: 65.236 Å c: 156.516 Å α: 94.905° β: 96.027° γ: 90.040°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.37 Solvent Content: 48.16
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 2.50 38.86 55219 1997 92.50 0.2072 0.2508 53.77
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 38.86 92.5 ? ? 6.2 3.9 ? 55264 ? ? 46.12
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 2.57 91.0 ? ? 1.8 3.9 ?
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 0.97946 SSRL BL12-2
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
XDS data reduction .
XDS data scaling .
PHENIX phasing 1.20
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