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: 60.798 Å b: 60.798 Å c: 35.378 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.21 Solvent Content: 44.33
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 1.8400 43.0300 10740 468 98.0600 0.1959 0.2454 53.3170
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
1.840 42.980 100.000 0.088 ? 13.400 13.700 ? 11438 ? ? ?
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 1.840 1.880 99.700 ? ? ? 14.200 ?
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 0.7.7
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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