X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 SG1 H12 4.3M Sodium chloride ,0.1M Sodium HEPES 7.5
Unit Cell:
a: 119.778 Å b: 119.778 Å c: 167.235 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3 2
Crystal Properties:
Matthew's Coefficient: 3.65 Solvent Content: 66.30
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 2.334 19.47 19797 950 99.83 0.1733 0.2083 36.97
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
2.334 19.470 99.9 0.077 ? 15.6 5.8 ? 19801 ? ? 33.77
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 2.334 2.374 97.8 ? ? 5.9 5.5 ?
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 SLS BEAMLINE X06SA 1.00000 SLS X06SA
Software
Software Name Purpose Version
PHENIX refinement 2.0rc1-5617
XDS data reduction VERSION Jun 30, 2024 BUILT=20241002
Aimless data scaling Version 0.8.1
PHASER phasing .
autoPROC data processing 1.0.5 ()
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