X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.2 293 19% polyethylene glycol 3350, 0.15 M DL-Malic pH 7.2, 18% propylene glycol
Unit Cell:
a: 66.370 Å b: 131.210 Å c: 225.290 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 2 2
Crystal Properties:
Matthew's Coefficient: 3.38 Solvent Content: 63.59
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 3.1000 65.6900 34713 1850 99.6500 0.2163 0.2653 86.6240
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
3.100 85.470 99.800 0.140 ? 7.700 4.200 ? 36576 ? ? ?
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 3.100 3.240 100.000 ? ? ? 4.300 ?
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 BL17U 0.9791 SSRF BL17U
Software
Software Name Purpose Version
REFMAC refinement 5.8.0352
SCALA data scaling 3.3.16
PDB_EXTRACT data extraction 3.27
iMOSFLM data reduction .
PHENIX phasing .
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