X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.2 293 0.1 M HEPES, pH 7.2, 0.1 M calcium acetate, 19% PEG3350, 100 uM CBGA
Unit Cell:
a: 94.292 Å b: 94.292 Å c: 237.058 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 61 2 2
Crystal Properties:
Matthew's Coefficient: 2.94 Solvent Content: 58.14
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 1.93 77.21 47217 2391 99.12 0.2104 0.2352 ?
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
1.93 81.76 100 ? ? 19.4 19.7 ? 47637 ? ? 49.26
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 1.93 1.96 100 ? ? 0.5 ? ?
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 SSRL BEAMLINE BL9-2 0.97 SSRL BL9-2
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
XDS data reduction 20230630
Aimless data scaling 0.8.2
PHASER phasing .
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