X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.2 298 16% (w/v) PEG 3350, 0.1 M phosphate-citrate buffer (McIlvaine buffer) pH 5.2, and 0.1 M NaCl.
Unit Cell:
a: 113.975 Å b: 66.066 Å c: 64.276 Å α: 90.000° β: 91.824° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.31 Solvent Content: 46.8
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 2.31 43.31 21130 1069 99.75 0.2218 0.2767 24.48
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
2.31 43.31 99.4 0.103 ? 7.50 3.6 ? 41058 ? ? 19.74
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 2.31 2.45 99.6 ? ? 6.32 3.6 ?
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 BL32XU 0.99999 SPring-8 BL32XU
Software
Software Name Purpose Version
PHENIX refinement 2.0_5885
XDS data reduction Jan 19, 2025; BUILT=20250327
XDS data scaling Jan 19, 2025; BUILT=20250327
PHASER phasing 2.8.3
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