X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.7 293 36% PEG 8000, 0.1M acetate pH 4.7
Unit Cell:
a: 61.200 Å b: 61.200 Å c: 35.270 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.23 Solvent Content: 44.89
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 FOURIER SYNTHESIS THROUGHOUT 1.9000 30.5800 10053 421 99.8700 0.2008 0.2541 47.2760
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
1.900 30.600 100.000 0.127 ? 15.000 13.200 ? 10488 ? ? ?
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 1.900 1.950 100.000 ? ? ? 14.300 ?
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 DIAMOND BEAMLINE I04-1 0.92124 Diamond I04-1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
Aimless data scaling 0.7.9
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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