X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 Tris 100 mM pH 8.5, Sodium acetate 200 mM e PEG 4000 16% (w/v)
Unit Cell:
a: 243.732 Å b: 243.732 Å c: 243.732 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: F 41 3 2
Crystal Properties:
Matthew's Coefficient: 2.01 Solvent Content: 38.91
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 2.295 46.906 26803 1338 94.88 0.2720 0.3130 61.09
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
2.295 46.91 97.6 0.379 ? 15.65 65.6 ? 27656 ? ? 61.72
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 2.295 2.430 98.3 ? ? 0.32 30.8 ?
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 LNLS BEAMLINE W01B-MX2 1.4586 LNLS W01B-MX2
Software
Software Name Purpose Version
PHENIX refinement 1.13_2998
XDS data reduction Nov 11, 2017 BUILT=20180124
XDS data scaling Nov 11, 2017 BUILT=20180124
PHASER phasing 2.7.17
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