X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 15-34% precipitant mix 2 (40% v/v ethylene glycol; 20% w/v PEG 8000), 0.09M halogens (0.3M sodium fluoride; 0.3M sodium bromide; sodium iodide) and buffer system 3 pH 8 - 9 (tris(base); bicine)
Unit Cell:
a: 83.436 Å b: 117.840 Å c: 106.910 Å α: 90.00° β: 100.20° γ: 90.00°
Symmetry:
Space Group: I 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.75 Solvent Content: 55.24
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 2.70 45.38 26730 1375 95.49 0.2267 0.2697 ?
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
2.70 45.38 95.7 0.122 ? 15.2 14.5 ? 26746 ? ? ?
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 2.70 2.83 ? ? ? ? ? ?
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, DESY BEAMLINE P11 1.0332 PETRA III, DESY P11
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
PDB_EXTRACT data extraction .
XDS data reduction .
SCALA data scaling .
PHASER phasing .
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