X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 277 0.1 M Tris-HCl (pH 8.0), 0.8 M NaH2PO4, and 1.2 M K2HPO4
Unit Cell:
a: 81.998 Å b: 81.998 Å c: 134.893 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 3.76 Solvent Content: 67.26
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 1.92 39.23 40416 1992 99.51 0.1581 0.1816 19.27
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
1.92 50 99.5 0.103 ? 24.63 12.99 ? 40422 ? ? 17.69
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 1.92 2.04 97.2 ? ? 4.63 ? ?
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
LIQUID ANODE Excillum MetalJet D2+ 70 kV 1.3477 ? ?
Software
Software Name Purpose Version
XDS data reduction Jan 19, 2025 (BUILT=20250714)
XDS data scaling Jan 19, 2025 (BUILT=20250714)
PHASER phasing 2.8.3
Coot model building 0.9.8.3
PHENIX refinement 1.20.1_4487
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