X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 289 0.1 M Tris-HCl, pH=8.5, 0.2 M MgCl2, 18% PEG3350
Unit Cell:
a: 56.115 Å b: 73.419 Å c: 91.066 Å α: 109.670° β: 91.050° γ: 90.670°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 47.44
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 23.74 46918 2321 99.41 0.2469 0.3004 27.54
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 23.74 99.31 0.1 ? 15.99 5.1 ? 46924 ? ? 24.57
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 2.6 100 ? ? 4.75 4.0 ?
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
ROTATING ANODE RIGAKU 1.5418 ? ?
Software
Software Name Purpose Version
REFMAC refinement v1.0
PHENIX refinement 1.20.1_4487
CrysalisPro data reduction v1.0
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