X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 281 100 mM Tris-HCl, pH 8.5, 30% v/v PEG 200, 200 mM (NH4)2HPO4
Unit Cell:
a: 175.720 Å b: 175.720 Å c: 86.590 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 3.16 Solvent Content: 61.09
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 THROUGHOUT 1.750 47.911 153071 7758 99.975 ? 0.1812 37.232
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
1.75 50 100 0.0108 ? 14.75 13.1 ? 153073 ? ? ?
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 1.75 1.85 ? ? ? 0.56 ? ?
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 BL12-1 0.979460 SSRL BL12-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
XDS data reduction .
XSCALE data scaling .
REFMAC phasing .
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