Mass: 36504.227 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza A virus / Strain: A/Japan/305+/1957(H2N2) / Gene: HA / Plasmid: pFastBac / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: C7S226
#2: Protein
HemagglutininHA2
Mass: 20139.295 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Influenza A virus / Strain: A/Japan/305+/1957(H2N2) / Gene: HA / Plasmid: pFastBac / Cell line (production host): Hi5 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: C7S226
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Antibody , 2 types, 2 molecules HL
#3: Antibody
Fab8F8heavychain
Mass: 25140.242 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pEE6.4 / Cell line (production host): HEK 293F / Production host: Homo sapiens (human)
#4: Antibody
Fab8F8lightchain
Mass: 22686.938 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pEE12.4 / Cell line (production host): HEK 293F / Production host: Homo sapiens (human)
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 3.66 Å3/Da / Density % sol: 66.42 %
Crystal grow
Temperature: 295.7 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 11% PEG4000, 0.1 M Tris, pH 8.5 and 0.1 M MgCl2, vapor diffusion, sitting drop, temperature 295.7K
Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 23, 2011
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0332 Å / Relative weight: 1
Reflection
Redundancy: 3.9 % / Av σ(I) over netI: 11.55 / Number: 114153 / Rmerge(I) obs: 0.097 / Χ2: 1.08 / D res high: 3 Å / D res low: 50 Å / Num. obs: 29412 / % possible obs: 94.7
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
6.46
50
99.7
1
0.037
1.122
3.9
5.13
6.46
100
1
0.059
0.988
4
4.48
5.13
99.9
1
0.07
1.045
4.1
4.07
4.48
100
1
0.091
1.074
4.1
3.78
4.07
100
1
0.135
1.024
4.1
3.56
3.78
100
1
0.21
1.079
4.1
3.38
3.56
99.5
1
0.306
1.161
4
3.23
3.38
95.7
1
0.385
0.949
3.7
3.11
3.23
86.7
1
0.511
1.24
3.3
3
3.11
64.8
1
0.589
1.268
3.2
Reflection
Resolution: 3→50 Å / Num. obs: 29412 / % possible obs: 94.7 % / Redundancy: 3.9 % / Rmerge(I) obs: 0.097 / Χ2: 1.081 / Net I/σ(I): 7.6
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique all
Χ2
Diffraction-ID
% possible all
3-3.11
3.2
0.589
1988
1.268
1
64.8
3.11-3.23
3.3
0.511
2645
1.24
1
86.7
3.23-3.38
3.7
0.385
2948
0.949
1
95.7
3.38-3.56
4
0.306
3040
1.161
1
99.5
3.56-3.78
4.1
0.21
3073
1.079
1
100
3.78-4.07
4.1
0.135
3084
1.024
1
100
4.07-4.48
4.1
0.091
3091
1.074
1
100
4.48-5.13
4.1
0.07
3134
1.045
1
99.9
5.13-6.46
4
0.059
3140
0.988
1
100
6.46-50
3.9
0.037
3269
1.122
1
99.7
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Phasing
Phasing
Method: molecular replacement
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Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
PHENIX
1.7_650
refinement
PDB_EXTRACT
3.11
dataextraction
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.004→44.718 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.7691 / SU ML: 0.35 / σ(F): 0 / Phase error: 29.26 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2822
1395
5.12 %
Rwork
0.229
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-
obs
0.2318
27264
87.78 %
Solvent computation
Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 34.141 Å2 / ksol: 0.286 e/Å3