X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? ? 0.55 M NAH2PO4, 0.55 M KH2PO4, 0.1 M TRIS, PH 5.05.
Unit Cell:
a: 160.800 Å b: 160.800 Å c: 97.660 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 3.3 Solvent Content: 63
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 FOURIER SYNTHESIS ? 2.545 32.793 15831 790 98.93 0.1830 0.2204 68.18
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
2.54 32.80 99.4 0.06 ? 22.20 5.6 ? 15832 ? 2.9 54.12
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 2.54 2.61 99.8 ? 2.90 5.7
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 BESSY BEAMLINE 14.1 ? BESSY 14.1
Software
Software Name Purpose Version
PHENIX refinement (PHENIX.REFINE)
XDS data reduction .
XDS data scaling .
PHENIX phasing .
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