Evidence: light scattering, SEC-MALS indicated that the protein exists as dimer in solution., SAXS, SEC-SAXS indicated that the protein exists as dimer in solution
Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Dec 4, 2017
Radiation
Monochromator: Numerical link type Si(111) double crysta / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.6→46.13 Å / Num. obs: 261209 / % possible obs: 99 % / Redundancy: 3.8 % / Biso Wilson estimate: 11.88 Å2 / CC1/2: 0.989 / Rmerge(I) obs: 0.067 / Rpim(I) all: 0.041 / Net I/σ(I): 9.9
Reflection shell
Resolution: 1.6→1.63 Å / Rmerge(I) obs: 0.485 / Mean I/σ(I) obs: 1.9 / Num. unique obs: 12725 / CC1/2: 0.844 / Rpim(I) all: 0.356 / % possible all: 98
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0352
refinement
XDS
Jan10, 2022
datareduction
XDS
Jan10, 2022
datascaling
PHENIX
1.12-2829
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.6→46.18 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.939 / SU B: 2.196 / SU ML: 0.074 / Cross valid method: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.09 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21121
12950
5 %
RANDOM
Rwork
0.17696
-
-
-
obs
0.17867
248219
98.92 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK