X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.5 283 19% PEG 3350, 5% glycerol, 0.1 M Bis-Tris pH 5.5, and 0.2 M sodium acetate Cryoprotectant: 30% PEG 400, 19% PEG 3350, 5% glycerol, 0.1 M Bis-Tris pH 5.5, and 0.2 M sodium acetate
Unit Cell:
a: 41.457 Å b: 62.874 Å c: 105.378 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.13 Solvent Content: 42.33
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 MOLECULAR REPLACEMENT FREE R-VALUE 1.78 40.416 27180 1348 99.776 ? 0.2413 32.111
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
1.78 41.46 99.8 0.084 ? 19.52 8.13 ? 27180 ? ? ?
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 1.78 1.89 ? ? ? 2.79 8.35 ?
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 SPRING-8 BEAMLINE BL45XU 1.00 SPring-8 BL45XU
Software
Software Name Purpose Version
XDS data scaling Jun 30, 2024
XDS data reduction Jun 30, 2024
MOLREP phasing 11.9.02
REFMAC refinement 5.8.0430 (refmacat 0.4.88)
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