X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 277 12% PEG 3350 14% Glycerol
Unit Cell:
a: 107.193 Å b: 107.193 Å c: 107.443 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 43 2 2
Crystal Properties:
Matthew's Coefficient: 2.81 Solvent Content: 56.30
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 THROUGHOUT 1.9790 48.0280 44236 2392 99.9200 0.2129 0.2435 45.9728
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
1.979 48.03 99.94 0.076 ? 19.08 11.7 ? 44239 ? ? 35.190
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 1.979 2.05 99.73 ? ? 3.62 11.5 ?
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 PETRA III, DESY BEAMLINE P11 1.0332 PETRA III, DESY P11
Software
Software Name Purpose Version
XDS data reduction .
Aimless data scaling .
PHENIX refinement 1.11.1_2575
PDB_EXTRACT data extraction 3.27
PHENIX phasing .
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