Mass: 109100.414 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: The last domain is ill defined, the fragments that could be fit into density are described as UNK.,The last domain is ill defined, the fragments that could be fit into density are described as UNK. Source: (gene. exp.) Paenibacillus (bacteria) / Strain: sp. 62047 / Production host: Bacillus subtilis (bacteria) / References: UniProt: A0A3F2YM16*PLUS
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92 Å / Relative weight: 1
Reflection
Resolution: 2.04→27.5 Å / Num. obs: 84289 / % possible obs: 99.9 % / Redundancy: 10.2 % / Biso Wilson estimate: 28 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.099 / Net I/σ(I): 15.8
Reflection shell
Resolution: 2.04→2.09 Å / Rmerge(I) obs: 0.65 / Mean I/σ(I) obs: 3.6 / CC1/2: 0.878
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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: 2.04→27.5 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.933 / SU B: 6.268 / SU ML: 0.095 / Cross valid method: THROUGHOUT / ESU R: 0.157 / ESU R Free: 0.14 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21047
4202
5 %
RANDOM
Rwork
0.17978
-
-
-
obs
0.18133
80028
99.81 %
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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