X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 293 30% PEG4k/glycerol mix 0.1M Bicine/Tris buffer at pH 8.5 0.12M Morpheus ethylene glycol mix
Unit Cell:
a: 56.879 Å b: 179.732 Å c: 183.445 Å α: 90.000° β: 90.040° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 4.08 Solvent Content: 69.87
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 3.00 64.19 25736 1349 69.95 0.2548 0.2855 115.17
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 64.19 69.96 ? ? 6.35 13.8 ? 36805 ? ? 107.68
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 3.0 3.11 25.06 ? ? 0.09 12.5 ?
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 DIAMOND BEAMLINE I04 0.9796 Diamond I04
Software
Software Name Purpose Version
PHENIX refinement 1.20.1_4487
DIALS data reduction .
DIALS data scaling .
PHASER phasing .
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