Mass: 25437.859 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#2: Antibody
Fab4AB007L-chain
Mass: 27678.803 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#3: Protein
Interleukin-1beta
Mass: 20333.020 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: IL1B / Production host: Homo sapiens (human) / References: UniProt: B5BUQ8, UniProt: P01584*PLUS
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
1
1
2
2.066
1
Reflection
Resolution: 2.093→47.68 Å / Num. obs: 79698 / % possible obs: 95.2 % / Redundancy: 3.8 % / Rmerge(I) obs: 0.073 / Rrim(I) all: 0.085 / Net I/σ(I): 10.4
Reflection shell
Resolution: 2.093→2.21 Å / % possible all: 94.7
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0071
refinement
XDS
datareduction
SCALA
datascaling
MOLREP
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.15→47.68 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.897 / SU B: 7.628 / SU ML: 0.199 / Cross valid method: THROUGHOUT / ESU R: 0.264 / ESU R Free: 0.228 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28107
3665
5 %
RANDOM
Rwork
0.21945
-
-
-
obs
0.22253
69661
99.63 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å