X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 0.05 M Cadmium sulfate hydrate 0.1 M HEPES pH 7.5 1.0 M Sodium acetate trihydrate
Unit Cell:
a: 181.020 Å b: 181.020 Å c: 181.020 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 4 3 2
Crystal Properties:
Matthew's Coefficient: 3.07 Solvent Content: 59.89
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 2.310 27.29 11667 1167 99.79 0.2071 0.2510 ?
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
2.31 27.605 99.79 ? ? 8.51 2.0 ? 11667 ? ? ?
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 2.31 2.393 ? ? ? ? ? ?
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 SSRF BEAMLINE BL18U1 0.987 SSRF BL18U1
Software
Software Name Purpose Version
PHENIX refinement (1.14_3260: ???)
xia2 data scaling .
PHASER phasing .
PDB_EXTRACT data extraction .
xia2 data reduction .
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