X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 20-24% PEG 3350, 0.1 M Lithium Sulfate, and 0.1 M Bis-Tris propane or HEPES
Unit Cell:
a: 77.715 Å b: 111.851 Å c: 115.670 Å α: 89.343° β: 70.443° γ: 80.924°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.51 Solvent Content: 50.90
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 3.20 48.36 57905 1590 96.93 0.2311 0.2899 72.41
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
2.96 49.18 96.7 0.237 ? 5.0 3.6 ? 73011 ? ? 69.04
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 2.96 3.02 ? 91.2 ? ? 3.5 ?
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 ALS BEAMLINE 4.2.2 1.000 ALS 4.2.2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
Aimless data scaling .
XDS data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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