X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 100 mM Tris pH 7.5, 200 mM LiSO4 and 20% (w/v) polyethylene glycol (PEG) 3350.
Unit Cell:
a: 54.800 Å b: 57.620 Å c: 64.790 Å α: 90.00° β: 99.44° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.41 Solvent Content: 49.04
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 1.600 35.505 52556 1577 99.79 0.1679 0.1926 ?
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
1.6 35.51 99.80 0.07312 ? 13.97 3.8 ? 52563 ? ? ?
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 1.6 1.657 99.92 ? ? 1.82 3.7 5258
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 80 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON MAX II BEAMLINE I911-3 0.97907 MAX II I911-3
Software
Software Name Purpose Version
PHENIX refinement (phenix.refine: dev_1839)
XDS data reduction .
Coot model building .
PHASER phasing .
XSCALE data scaling .
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