X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.5 293 3 M sodium chloride, 0.1 M sodium acetate
Unit Cell:
a: 69.270 Å b: 69.270 Å c: 115.350 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43
Crystal Properties:
Matthew's Coefficient: 2.45 Solvent Content: 49.71
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 THROUGHOUT 2.05 30.24 31308 1648 96.70 0.19005 0.22825 28.750
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
2.05 30.24 96.6 ? ? 14.32 3.9 ? 32957 ? ? ?
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 2.05 2.15 ? ? ? ? ? ?
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 PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) 0.97630 PETRA III, EMBL c/o DESY P14 (MX2)
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
XSCALE data scaling Jun 30, 2024
XDS data reduction .
PHASER phasing 2.8.3
PDB_EXTRACT data extraction .
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