Mass: 20076.391 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: mRNA / Source: (gene. exp.) Homo sapiens (human) / Tissue: Whole blood / Gene: FCGR3A, CD16A, FCG3, FCGR3, IGFR3 / Variant: 158F / Plasmid: pOPING / Cell line (production host): HEK293T / Production host: Homo sapiens (human) / References: UniProt: P08637
#2: Protein
AffimerG3
Mass: 11521.153 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9686 Å / Relative weight: 1
Reflection
Resolution: 2.35→51.1 Å / Num. obs: 30227 / % possible obs: 95.8 % / Redundancy: 2.7 % / Biso Wilson estimate: 55 Å2 / Rmerge(I) obs: 0.04 / Rsym value: 0.049 / Net I/σ(I): 15.7
Reflection shell
Resolution: 2.35→2.45 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.807 / Mean I/σ(I) obs: 1.2 / % possible all: 97.2
-
Processing
Software
Name
Version
Classification
PHENIX
(1.12_2829: ???)
refinement
XDS
dataprocessing
Aimless
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: A subsection of a complex of an Adhiron bound to a soluble protein (manuscript in preparation) was used as a search model. Resolution: 2.35→43.39 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.64 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2443
1510
5 %
Rwork
0.2055
-
-
obs
0.2075
30208
95.48 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.35→43.39 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4016
0
127
146
4289
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.002
4311
X-RAY DIFFRACTION
f_angle_d
0.459
5883
X-RAY DIFFRACTION
f_dihedral_angle_d
12.807
2505
X-RAY DIFFRACTION
f_chiral_restr
0.041
669
X-RAY DIFFRACTION
f_plane_restr
0.003
739
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.3501-2.4259
0.3706
165
0.2857
2620
X-RAY DIFFRACTION
97
2.4259-2.5126
0.337
132
0.2827
2671
X-RAY DIFFRACTION
97
2.5126-2.6132
0.366
146
0.2784
2605
X-RAY DIFFRACTION
97
2.6132-2.7321
0.2997
134
0.2619
2622
X-RAY DIFFRACTION
97
2.7321-2.8761
0.2799
123
0.2371
2626
X-RAY DIFFRACTION
97
2.8761-3.0563
0.2819
137
0.2386
2625
X-RAY DIFFRACTION
96
3.0563-3.2922
0.2808
109
0.2338
2640
X-RAY DIFFRACTION
96
3.2922-3.6233
0.27
140
0.2083
2597
X-RAY DIFFRACTION
95
3.6233-4.1473
0.2326
152
0.1829
2550
X-RAY DIFFRACTION
94
4.1473-5.2237
0.1721
131
0.1628
2567
X-RAY DIFFRACTION
93
5.2237-43.3973
0.2248
141
0.1988
2575
X-RAY DIFFRACTION
91
+
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