Mass: 109100.414 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: The last domain is very poorly defined, some fragments are described as UNK residues Source: (gene. exp.) Paenibacillus sp. (bacteria) / Production host: Bacillus subtilis (bacteria) / References: UniProt: A0A3F2YM17*PLUS
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.07 Å / Relative weight: 1
Reflection
Resolution: 2→52.29 Å / Num. obs: 88513 / % possible obs: 100 % / Redundancy: 9.9 % / CC1/2: 0.999 / Rmerge(I) obs: 0.082 / Net I/σ(I): 16
Reflection shell
Resolution: 2→2.05 Å / Rmerge(I) obs: 0.64 / Mean I/σ(I) obs: 3.5 / CC1/2: 0.876 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0189
refinement
xia2
datareduction
Aimless
datascaling
CRANK2
phasing
Refinement
Method to determine structure: SAD / Resolution: 2→52.29 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.945 / SU B: 6.073 / SU ML: 0.094 / Cross valid method: THROUGHOUT / ESU R: 0.143 / ESU R Free: 0.135 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20976
4435
5 %
RANDOM
Rwork
0.17272
-
-
-
obs
0.17458
84008
99.98 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å