X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293 16 % Ethylene Glycol, 8 % PEG 8K, 0.05 M HEPES, 0.05 M MOPS, 0.03 M Sodium Nitrate, 0,03 M Sodium Phosphate, 0.03 M Ammonium Sulphate
Unit Cell:
a: 59.129 Å b: 70.188 Å c: 85.558 Å α: 102.740° β: 96.230° γ: 112.410°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.34 Solvent Content: 47.36
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 FOURIER SYNTHESIS THROUGHOUT 1.9560 81.5300 83396 4266 95.3000 0.1759 0.2397 65.2800
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
1.950 81.410 96.600 0.074 ? 7.800 3.400 ? 84526 ? ? 40.480
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 1.950 1.990 92.000 ? ? ? 3.100 4264
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 DIAMOND BEAMLINE I04-1 0.9126 Diamond I04-1
Software
Software Name Purpose Version
BUSTER refinement 2.10.3 (20-MAY-2020)
Aimless data scaling 0.7.4
PDB_EXTRACT data extraction 3.23
XDS data reduction .
REFMAC phasing .
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