X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 292 10% (w/v) PEG 6000 5% (v/v) MPD 0.1 M Hepes pH 7.5
Unit Cell:
a: 95.003 Å b: 83.791 Å c: 105.505 Å α: 90.00° β: 106.40° γ: 90.00°
Symmetry:
Space Group: I 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.52 Solvent Content: 55.11
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 3.08 45.57 14784 727 99.39 0.2670 0.2902 ?
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
3.08 45.57 99.6 0.118 ? 10.2 7.8 ? 14803 ? ? ?
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 3.08 3.29 ? 98.1 ? ? 7.5 ?
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 SOLEIL BEAMLINE PROXIMA 2 0.980105 SOLEIL PROXIMA 2
Software
Software Name Purpose Version
PHENIX refinement (1.21_5207: ???)
Aimless data scaling v0.7.7
XDS data reduction 20220110
PDB_EXTRACT data extraction .
PHASER phasing .
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