X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 295 22 mg/ml protein concentration, HEPES ph 5.5, 30% PEG 3350, soaked with 10 mM AcCoA + 10 mM ORN for 10 minutes; crystal cryoprotected with 25% PEG 400
Unit Cell:
a: 59.316 Å b: 79.775 Å c: 160.922 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 42.39
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 THROUGHOUT 1.00 44.51 282078 14705 72.78 0.12431 0.13773 12.424
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
1.00 44.51 95.2 0.083 ? 17.2 13.5 ? 304832 ? ? ?
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 1.00 1.06 68.7 ? ? ? 12.2 ?
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 MAX IV BEAMLINE BioMAX 0.729 MAX IV BioMAX
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
PDB_EXTRACT data extraction .
XDS data reduction .
STARANISO data scaling .
PHASER phasing .
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