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- PDB-8d29: Crystal structure of theophylline aptamer - apo form -

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Basic information

Entry
Database: PDB / ID: 8d29
TitleCrystal structure of theophylline aptamer - apo form
Components
  • Fab heavy chain
  • Fab light chain
  • RNA (34-MER)
KeywordsRNA/IMMUNE SYSTEM / RNA / aptamer / theophylline / RNA-IMMUNE SYSTEM complex
Function / homologyImmunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / : / RNA / RNA (> 10)
Function and homology information
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.81 Å
AuthorsMenichelli, E. / Spraggon, G.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2022
Title: Discovery of small molecules that target a tertiary-structured RNA.
Authors: Menichelli, E. / Lam, B.J. / Wang, Y. / Wang, V.S. / Shaffer, J. / Tjhung, K.F. / Bursulaya, B. / Nguyen, T.N. / Vo, T. / Alper, P.B. / McAllister, C.S. / Jones, D.H. / Spraggon, G. / ...Authors: Menichelli, E. / Lam, B.J. / Wang, Y. / Wang, V.S. / Shaffer, J. / Tjhung, K.F. / Bursulaya, B. / Nguyen, T.N. / Vo, T. / Alper, P.B. / McAllister, C.S. / Jones, D.H. / Spraggon, G. / Michellys, P.Y. / Joslin, J. / Joyce, G.F. / Rogers, J.
History
DepositionMay 28, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 30, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Nov 20, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fab heavy chain
B: Fab light chain
C: RNA (34-MER)
D: Fab heavy chain
E: Fab light chain
F: RNA (34-MER)
G: Fab heavy chain
H: Fab heavy chain
I: Fab light chain
J: RNA (34-MER)
L: Fab light chain
R: RNA (34-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)234,61318
Polymers234,39412
Non-polymers2186
Water36,8052043
1
A: Fab heavy chain
B: Fab light chain
C: RNA (34-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6775
Polymers58,5993
Non-polymers782
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Fab heavy chain
E: Fab light chain
F: RNA (34-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6775
Polymers58,5993
Non-polymers782
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Fab heavy chain
I: Fab light chain
J: RNA (34-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6224
Polymers58,5993
Non-polymers231
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
H: Fab heavy chain
L: Fab light chain
R: RNA (34-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,6384
Polymers58,5993
Non-polymers391
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)76.151, 92.849, 93.639
Angle α, β, γ (deg.)97.340, 90.320, 106.920
Int Tables number1
Space group name H-MP1

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Components

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RNA chain , 1 types, 4 molecules CFJR

#3: RNA chain
RNA (34-MER)


Mass: 10927.590 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Antibody , 2 types, 8 molecules ADGHBEIL

#1: Antibody
Fab heavy chain


Mass: 24336.160 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human)
#2: Antibody
Fab light chain


Mass: 23334.836 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293 / Production host: Homo sapiens (human)

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Non-polymers , 3 types, 2049 molecules

#4: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: K
#5: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 2043 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.66 Å3/Da / Density % sol: 53.73 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.8 / Details: PEG 3350, citrate bis-Tris propane

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.3 / Wavelength: 0.9765 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 4, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9765 Å / Relative weight: 1
ReflectionResolution: 1.81→68.66 Å / Num. obs: 213222 / % possible obs: 93.74 % / Redundancy: 3.8 % / CC1/2: 0.994 / CC star: 0.999 / Rmerge(I) obs: 0.1327 / Rpim(I) all: 0.07746 / Net I/σ(I): 7.92
Reflection shellResolution: 1.81→1.875 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.8311 / Mean I/σ(I) obs: 2.82 / Num. unique obs: 20808 / CC1/2: 0.705 / CC star: 0.909 / Rpim(I) all: 0.557 / % possible all: 93.93

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6B14

6b14


Resolution: 1.81→68.66 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 23.2 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2114 10352 4.95 %
Rwork0.1755 198987 -
obs0.1772 209339 93.74 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 209.26 Å2 / Biso mean: 36.8604 Å2 / Biso min: 7.03 Å2
Refinement stepCycle: final / Resolution: 1.81→68.66 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13129 2892 6 2043 18070
Biso mean--28.37 34.46 -
Num. residues----1868
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.81-1.830.33053500.27846618696894
1.83-1.850.30863440.26166677702194
1.85-1.870.29153530.24016608696194
1.87-1.890.29933540.23746671702594
1.89-1.920.24491590.22233164332347
1.92-1.940.27192840.22465094537884
1.94-1.970.25433210.20766721704295
1.97-20.2453460.26745709195
2-2.030.23763190.19866707702695
2.03-2.070.26753010.21945597589879
2.07-2.10.2543530.21516777713097
2.1-2.140.26253390.18356877721697
2.14-2.180.22873810.18776883726497
2.18-2.230.22043780.18246883726197
2.23-2.270.22243350.18546864719997
2.27-2.330.22463530.17916875722897
2.33-2.390.21193620.1826914727698
2.39-2.450.23263960.18596886728298
2.45-2.520.23463230.17996925724897
2.52-2.60.22043620.17526928729098
2.6-2.70.21973470.17886929727698
2.7-2.80.20913510.17656932728398
2.81-2.930.21143660.17256957732398
2.93-3.090.21933850.18256894727998
3.09-3.280.19493390.16696965730498
3.28-3.530.18073690.15556930729998
3.53-3.890.1933730.15487022739599
3.89-4.450.16353540.13886986734099
4.45-5.610.16053650.13346999736499
5.61-68.660.18573900.17136959734999
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
12.0881-2.28740.79095.0536-0.891.50040.15880.04750.067-0.2715-0.1647-0.26970.03270.11810.02920.0829-0.01190.02130.12490.01870.121844.806-4.318-42.949
21.76420.2028-0.02191.3729-0.27431.5228-0.0490.058-0.1022-0.0316-0.0459-0.02890.04080.04750.08550.1076-0.00590.00490.05580.0130.099839.297-15.119-41.102
35.4033-3.7405-1.39775.22752.44882.74620.1290.2379-0.2288-0.1862-0.25230.3264-0.0626-0.36170.16920.0771-0.0304-0.01240.08960.00310.10134.562-11.197-46.039
41.0713-0.64241.22246.04250.54081.59020.0546-0.01470.0235-0.2248-0.12640.2231-0.1487-0.24030.11990.0524-0.01770.00310.10160.00860.077837.026-4.27-43.686
52.1119-0.46560.15464.91140.12762.04170.0435-0.0504-0.3156-0.0839-0.135-0.40320.34440.09090.07890.11880.00970.00760.08810.01290.133842.592-20.923-35.124
63.04082.1738-0.44183.04121.01472.23420.01180.05190.19430.252-0.09360.0117-0.09750.01960.08950.0919-0.0094-0.0280.09240.00360.075345.5965.825-38.57
72.8915-0.27760.98711.1460.09012.41650.0225-0.24640.06750.005-0.0397-0.028-0.02810.10070.02590.0803-0.03050.00510.14740.00770.102359.6311.379-23.899
83.6278-0.24744.7267-0.0294-0.26156.0750.18950.2238-0.0278-0.0471-0.1417-0.03690.17880.4939-0.12110.0906-0.0127-0.00740.24320.00180.148165.42210.532-30.279
93.12214.72784.30557.26436.60645.9840.11320.05420.00050.14630.0977-0.2601-0.12320.4803-0.27460.1625-0.0595-0.00240.29640.00990.176565.42816.073-31.147
102.68751.33320.11321.97090.51280.9460.0862-0.2139-0.03310.1686-0.05260.03570.0885-0.1592-0.04450.1502-0.0155-0.00380.14620.04630.119535.825-16.584-18.73
111.812-0.1250.80351.2653-0.41013.1438-0.0007-0.1865-0.08580.1304-0.0509-0.13980.09380.18470.04370.1248-0.00980.01170.10910.03540.140841.208-19.567-22.064
125.75076.42894.47697.14164.94843.5378-0.13810.0942-0.0101-0.02060.18080.0252-0.14580.13410.01310.1914-0.0221-0.01790.24090.01690.112550.11-4.357-8.749
133.8166-3.09073.52415.5887-6.57437.90850.10380.12050.4017-0.0851-0.3317-0.2696-0.12330.72060.30880.2387-0.0714-0.00650.2151-0.02720.212358.86822.406-20.788
141.0699-0.3926-0.21788.2523-5.48054.17950.0607-0.17970.07410.184-0.06750.2194-0.05560.0394-0.01830.1425-0.0402-0.02390.2089-0.05280.132251.28712.85-11.653
152.58030.4360.14496.13913.20353.3968-0.1069-0.370.4250.5148-0.08980.6359-0.1682-0.16220.1820.22330.0030.02630.2751-0.07260.264846.10320.249-13.431
161.06930.49010.34795.7717-1.84312.69050.0446-0.25520.19830.3661-0.1098-0.0523-0.36850.040.07170.1084-0.04030.02330.208-0.04240.172253.65616.88-11.904
174.46594.2335-1.50136.7227-3.85982.66531.03730.97030.8911-0.73620.84580.2794-0.70860.5811-1.22731.31210.05030.66990.8775-0.02041.003213.079-41.063-25.414
182.7415-0.5462.14373.14090.85742.7978-0.0614-0.2155-0.74060.17880.01020.65160.8023-0.4082-0.02990.3845-0.09080.07190.1817-0.00190.443730.947-37.525-41.753
198.2817-0.7385-1.1643.96910.25445.672-0.3259-0.8228-0.3644-1.01190.2516-0.12340.14791.42380.03411.14070.06840.48650.95840.16170.951112.216-39.273-20.68
201.91921.91080.88776.9123.4933.9830.0375-0.0497-0.0539-0.0012-0.1270.17970.2405-0.2920.09640.1201-0.00010.00570.1170.01740.077315.939-7.334-58.561
211.12840.0509-0.02491.29810.31931.8114-0.02130.0312-0.0855-0.1196-0.0008-0.03660.1199-0.00020.0120.10750.01770.00920.0816-0.0010.078523.242-6.249-63.398
223.2961-2.96660.1483.3174-0.30720.4509-0.1506-0.06690.23640.13640.1003-0.1286-0.023-0.03190.07040.0915-0.00820.00590.09180.00310.090511.86414.834-54.144
233.9791-0.53241.49041.4329-0.75462.2599-0.00570.17950.2655-0.06570.0180.03070.021-0.0612-0.00340.09220.00420.01370.12360.01360.10990.22322.102-62.061
244.6241-3.43053.68293.8229-1.77883.8128-0.2077-0.18390.21710.31830.34750.2772-0.5357-0.3288-0.17030.19220.06070.03550.23790.06080.2322-4.77523.331-54.148
256.5646-3.8310.40184.461-0.57560.0718-0.227-0.08830.27330.15820.2007-0.2292-0.246-0.02180.00610.1706-0.04180.02960.2140.01990.091223.3827.678-83.603
263.0326-0.4090.47062.2546-0.4394.10240.00930.2736-0.0499-0.169-0.01340.08270.0321-0.00980.00760.1535-0.0192-0.01510.1216-0.00830.089421.53-2.25-83.014
276.2808-1.7976.07512.5099-2.15598.5141-0.0412-0.24860.0509-0.160.16040.2687-0.0677-0.7126-0.10480.1511-0.03090.02620.21510.02890.143815.6763.795-82.208
286.3303-5.0032.1825.5154-4.08874.3919-0.10210.09210.0550.1562-0.0425-0.24310.03880.18220.11890.1147-0.00460.00620.1392-0.03650.096430.003-3.355-73.291
297.8846-6.2406-0.00674.9058-0.0109-0.00680.40990.0852-0.2553-0.7326-0.04760.27160.04530.0166-0.21420.26260.0345-0.02060.24920.04120.13310.28418.592-83.853
303.4208-0.36562.07614.09890.76273.0119-0.0668-0.24640.34780.46520.10560.0049-0.1529-0.53050.01030.13530.043-0.00180.15540.0080.23182.11334.136-59.031
311.30460.48990.11186.00716.44677.5891-0.05850.11640.2596-0.19770.2053-0.2947-0.00910.3117-0.1740.14230.0499-0.0040.17320.06650.20299.54231.224-72.064
321.8473-0.8886-0.96617.8072.27811.6658-0.03860.10670.6602-0.36440.1949-0.4871-0.28290.2319-0.14780.1583-0.02250.00970.20610.0620.34514.9636.408-66.56
331.4757-0.5881-0.1824.24422.9765.35710.06980.14560.3112-0.02050.0827-0.2906-0.18910.1519-0.13110.07660.0190.03610.15330.04350.2038.42132.553-67.936
341.95960.6675-0.61065.3654.97428.74770.23650.28740.4475-0.5709-0.2941-0.0326-1.0193-0.53930.08740.2490.0980.00770.20390.08630.30444.11440.274-73.024
351.5651-2.8062-3.63885.46367.20099.6811-0.1116-0.21790.60291.18081.1304-0.61471.55230.7672-0.93021.51110.03480.51191.8464-0.39091.118942.536-29.731-87.532
364.78480.47790.95474.0791-0.00810.7401-0.02010.5683-0.74290.10220.059-0.29940.83630.3946-0.00590.45280.10840.04790.245-0.09920.313427.847-23.742-72.408
376.7888-1.08115.85891.5868-2.12956.90091.13462.5931-1.8424-2.3091-0.1161-0.82492.67680.3119-0.81821.59830.41830.16731.5112-0.36661.169928.404-36.201-80.643
380.1087-0.444-0.25784.72964.40344.42380.61220.04510.85190.27620.7007-1.09090.06440.5435-1.1941.28990.06670.57341.8784-0.43161.346245.593-28.549-91.978
393.2104-0.34651.19872.76281.14034.11410.1317-0.32370.06770.1416-0.23470.22320.1643-0.49890.13660.0790.01430.02890.15280.01640.068153.457-1.724-55.034
402.1276-0.06160.47041.55460.22822.27660.03420.0159-0.12050.0033-0.0383-0.01330.1665-0.01920.00380.12690.0010.00140.114-0.02270.065358.831-8.884-62.556
410.8230.01470.43111.72540.24221.6587-0.03040.0781-0.0661-0.15680.0058-0.09310.0470.14670.01540.07970.01070.02310.1218-0.01170.093859.348-7.09-61.802
421.976-1.9802-1.38694.32560.92141.66630.0629-0.0102-0.0026-0.1561-0.03490.0025-0.1433-0.1058-0.00090.08580.0055-0.02940.153-0.00140.10553.4819.786-52.619
433.8161-0.71041.5532.026-1.2163.0186-0.13010.18390.39780.02420.06410.0938-0.16130.04020.08320.1045-0.0044-0.00970.15970.0280.172440.73223.808-59.821
446.8409-4.31683.84652.8762-2.81063.352-0.2493-0.29210.14250.26140.34590.2281-0.3249-0.4067-0.14760.15990.0461-0.00320.22960.04710.237835.11221.781-53.13
451.9402-2.1099-0.0558.97830.3631.29080.12390.1673-0.0101-0.2333-0.2156-0.25860.1910.20280.09430.13070.02760.02570.16290.02440.08637.677-11.336-45.684
461.1685-0.17760.19592.51810.38461.77580.0423-0.0008-0.03990.0524-0.0480.10920.1546-0.07630.02190.0921-0.0066-0.00330.0931-0.00090.1093-1.176-10.736-42.279
473.9324-0.2119-0.00197.09260.79252.9340.0629-0.0234-0.4314-0.3747-0.1281-0.23170.51030.05070.05790.16150.0142-0.00380.12250.00780.09656.42-20.747-36.14
482.11352.11-0.32775.60811.75712.02720.00270.07-0.02680.1306-0.1024-0.0234-0.12290.06010.11750.07830.0028-0.01310.14320.02770.09837.6975.889-39.756
492.24330.5785-0.60344.5491-0.32021.1981-0.3123-0.77570.69630.7481-0.0965-0.2853-0.7990.28120.39580.2558-0.0186-0.06830.3764-0.09660.258524.59321.685-21.162
502.6561-0.13030.53591.42360.0342.96150.0525-0.17240.0730.01540.05330.0528-0.0132-0.1501-0.09140.0893-0.00330.0140.17750.02140.103519.66712.091-26.716
514.10271.57925.31630.92561.84066.8103-0.10130.15040.2977-0.05280.01090.0482-0.18090.18930.0820.1317-0.03040.01210.2175-0.01440.177826.5715.938-31.974
521.6231-0.8860.98851.6128-0.96862.8614-0.02340.22420.0949-0.1347-0.0598-0.1218-0.0490.22240.07190.1713-0.02660.0210.1765-0.01120.096857.197-0.261-81.151
536.521-5.6819-2.42524.88982.12280.92680.32110.4374-0.0876-0.6858-0.13620.26040.0282-0.2144-0.08310.3373-0.0188-0.06860.27610.03720.182645.78519.819-82.527
542.1135-0.05821.46084.72161.66193.2843-0.18350.05090.43090.14240.005-0.2563-0.24520.01150.12420.16410.0036-0.04770.15460.07130.265748.39733.488-65.158
551.9123-0.07761.07035.1931.3125.3953-0.17550.08580.55830.0457-0.0458-0.0487-0.578-0.09110.19660.12260.0054-0.03250.20340.07320.339446.77734.915-67.65
562.4561-3.8397-3.30045.99165.12664.3936-0.4464-1.59980.80861.62171.5545-0.9450.8950.8565-1.01681.79810.03120.52191.9487-0.5641.308579.159-29.059-87.981
574.4130.4576-0.44391.9644-0.3831.3547-0.05770.9455-1.1447-0.18870.2439-0.70840.99710.3638-0.03940.46910.0916-0.00230.3036-0.16020.410164.319-24.302-72.029
583.91011.1847-1.17381.4971.00051.96440.75652.8377-1.74-3.4035-0.3631-2.92813.16262.973-0.25591.5730.40160.47741.9509-0.60941.677968.606-36.072-79.582
597.5047-5.1557-6.76533.53394.64186.10720.57-0.71061.67550.91030.9206-0.7897-0.68880.0109-1.47771.5332-0.07510.57482.0206-0.65181.753482.061-27.205-92.114
607.90792.37820.39062.26121.34821.012-0.1011-0.19970.25170.104-0.07490.212-0.1766-0.20960.09640.2026-0.02080.05540.24420.02490.13643.042-13.331-15.995
613.34450.3990.71342.6504-0.44342.95050.122-0.3049-0.20440.1476-0.0730.06460.2029-0.1969-0.03160.1597-0.03390.01460.13890.04060.13484.666-21.096-22.18
625.00171.0322.86571.17870.52543.50990.0808-0.2579-0.17660.0982-0.0410.03360.0765-0.1442-0.04540.138-0.02350.0280.11320.01520.12834.467-16.157-23.793
639.36229.48157.53249.68657.75016.11860.1512-0.0054-0.29620.24320.1348-0.14480.19680.0208-0.25460.1665-0.00350.01140.19610.00410.123114.878-3.053-10.184
647.0273-4.20245.06014.7935-5.75437.29540.10860.54030.7106-0.3764-0.3511-0.2978-0.16540.54430.30740.2865-0.00720.00390.17390.00860.276418.52924.628-22.489
652.8726-2.03551.29734.028-4.06624.8828-0.0097-0.07810.119-0.17580.00070.09170.03230.0787-0.02870.1223-0.0332-0.01190.1572-0.03240.118412.77213.943-13.132
663.1873-4.4223-2.88549.52535.71246.20730.0075-0.01690.21430.2953-0.02960.162-0.2173-0.42880.00330.14890.03360.01790.2618-0.00280.16366.2720.344-14.992
671.2708-0.7950.27615.4505-1.97673.1330.0301-0.07580.24380.1966-0.016-0.1478-0.3522-0.0164-0.03220.0726-0.02640.01820.1595-0.01290.141814.80218.777-13.586
687.86598.5446-5.74789.2963-6.30464.3567-0.12371.11331.2519-0.11620.84960.89420.40950.3104-0.7161.5697-0.19560.66581.1635-0.05241.2634-22.341-39.67-23.314
693.6989-0.65271.24821.11791.03932.1483-0.4972-0.5623-1.3766-0.18140.06590.99861.50430.0626-0.00960.8665-0.03350.05130.16680.01020.7583-5.358-37.598-41.573
703.2087-0.033-5.40522.1752-0.43719.2462-0.8162-1.2534-0.6403-0.17480.14310.58870.39031.8830.67251.2742-0.13490.63741.2806-0.01161.7476-21.939-38.915-18.256
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 4:20 )A4 - 20
2X-RAY DIFFRACTION2( CHAIN A AND RESID 21:63 )A21 - 63
3X-RAY DIFFRACTION3( CHAIN A AND RESID 64:79 )A64 - 79
4X-RAY DIFFRACTION4( CHAIN A AND RESID 80:94 )A80 - 94
5X-RAY DIFFRACTION5( CHAIN A AND RESID 95:115 )A95 - 115
6X-RAY DIFFRACTION6( CHAIN A AND RESID 116:131 )A116 - 131
7X-RAY DIFFRACTION7( CHAIN A AND RESID 132:200 )A132 - 200
8X-RAY DIFFRACTION8( CHAIN A AND RESID 201:215 )A201 - 215
9X-RAY DIFFRACTION9( CHAIN A AND RESID 216:226 )A216 - 226
10X-RAY DIFFRACTION10( CHAIN B AND RESID 2:39 )B2 - 39
11X-RAY DIFFRACTION11( CHAIN B AND RESID 40:102 )B40 - 102
12X-RAY DIFFRACTION12( CHAIN B AND RESID 103:114 )B103 - 114
13X-RAY DIFFRACTION13( CHAIN B AND RESID 115:129 )B115 - 129
14X-RAY DIFFRACTION14( CHAIN B AND RESID 130:151 )B130 - 151
15X-RAY DIFFRACTION15( CHAIN B AND RESID 152:164 )B152 - 164
16X-RAY DIFFRACTION16( CHAIN B AND RESID 165:214 )B165 - 214
17X-RAY DIFFRACTION17( CHAIN C AND RESID 1:10 )C1 - 10
18X-RAY DIFFRACTION18( CHAIN C AND RESID 11:25 )C11 - 25
19X-RAY DIFFRACTION19( CHAIN C AND RESID 26:34 )C26 - 34
20X-RAY DIFFRACTION20( CHAIN D AND RESID 4:36 )D4 - 36
21X-RAY DIFFRACTION21( CHAIN D AND RESID 37:115 )D37 - 115
22X-RAY DIFFRACTION22( CHAIN D AND RESID 116:136 )D116 - 136
23X-RAY DIFFRACTION23( CHAIN D AND RESID 137:215 )D137 - 215
24X-RAY DIFFRACTION24( CHAIN D AND RESID 216:227 )D216 - 227
25X-RAY DIFFRACTION25( CHAIN E AND RESID 2:19 )E2 - 19
26X-RAY DIFFRACTION26( CHAIN E AND RESID 20:76 )E20 - 76
27X-RAY DIFFRACTION27( CHAIN E AND RESID 77:91 )E77 - 91
28X-RAY DIFFRACTION28( CHAIN E AND RESID 92:102 )E92 - 102
29X-RAY DIFFRACTION29( CHAIN E AND RESID 103:114 )E103 - 114
30X-RAY DIFFRACTION30( CHAIN E AND RESID 115:129 )E115 - 129
31X-RAY DIFFRACTION31( CHAIN E AND RESID 130:151 )E130 - 151
32X-RAY DIFFRACTION32( CHAIN E AND RESID 152:164 )E152 - 164
33X-RAY DIFFRACTION33( CHAIN E AND RESID 165:199 )E165 - 199
34X-RAY DIFFRACTION34( CHAIN E AND RESID 200:214 )E200 - 214
35X-RAY DIFFRACTION35( CHAIN F AND RESID 1:10 )F1 - 10
36X-RAY DIFFRACTION36( CHAIN F AND RESID 11:20 )F11 - 20
37X-RAY DIFFRACTION37( CHAIN F AND RESID 21:25 )F21 - 25
38X-RAY DIFFRACTION38( CHAIN F AND RESID 26:34 )F26 - 34
39X-RAY DIFFRACTION39( CHAIN G AND RESID 4:20 )G4 - 20
40X-RAY DIFFRACTION40( CHAIN G AND RESID 21:63 )G21 - 63
41X-RAY DIFFRACTION41( CHAIN G AND RESID 64:115 )G64 - 115
42X-RAY DIFFRACTION42( CHAIN G AND RESID 116:131 )G116 - 131
43X-RAY DIFFRACTION43( CHAIN G AND RESID 132:202 )G132 - 202
44X-RAY DIFFRACTION44( CHAIN G AND RESID 203:226 )G203 - 226
45X-RAY DIFFRACTION45( CHAIN H AND RESID 4:36 )H4 - 36
46X-RAY DIFFRACTION46( CHAIN H AND RESID 37:94 )H37 - 94
47X-RAY DIFFRACTION47( CHAIN H AND RESID 95:115 )H95 - 115
48X-RAY DIFFRACTION48( CHAIN H AND RESID 116:131 )H116 - 131
49X-RAY DIFFRACTION49( CHAIN H AND RESID 132:146 )H132 - 146
50X-RAY DIFFRACTION50( CHAIN H AND RESID 147:200 )H147 - 200
51X-RAY DIFFRACTION51( CHAIN H AND RESID 201:226 )H201 - 226
52X-RAY DIFFRACTION52( CHAIN I AND RESID 2:103 )I2 - 103
53X-RAY DIFFRACTION53( CHAIN I AND RESID 104:114 )I104 - 114
54X-RAY DIFFRACTION54( CHAIN I AND RESID 115:164 )I115 - 164
55X-RAY DIFFRACTION55( CHAIN I AND RESID 165:214 )I165 - 214
56X-RAY DIFFRACTION56( CHAIN J AND RESID 1:10 )J1 - 10
57X-RAY DIFFRACTION57( CHAIN J AND RESID 11:20 )J11 - 20
58X-RAY DIFFRACTION58( CHAIN J AND RESID 21:25 )J21 - 25
59X-RAY DIFFRACTION59( CHAIN J AND RESID 26:34 )J26 - 34
60X-RAY DIFFRACTION60( CHAIN L AND RESID 2:19 )L2 - 19
61X-RAY DIFFRACTION61( CHAIN L AND RESID 20:76 )L20 - 76
62X-RAY DIFFRACTION62( CHAIN L AND RESID 77:102 )L77 - 102
63X-RAY DIFFRACTION63( CHAIN L AND RESID 103:114 )L103 - 114
64X-RAY DIFFRACTION64( CHAIN L AND RESID 115:129 )L115 - 129
65X-RAY DIFFRACTION65( CHAIN L AND RESID 130:151 )L130 - 151
66X-RAY DIFFRACTION66( CHAIN L AND RESID 152:164 )L152 - 164
67X-RAY DIFFRACTION67( CHAIN L AND RESID 165:215 )L165 - 215
68X-RAY DIFFRACTION68( CHAIN R AND RESID 1:10 )R1 - 10
69X-RAY DIFFRACTION69( CHAIN R AND RESID 11:25 )R11 - 25
70X-RAY DIFFRACTION70( CHAIN R AND RESID 26:34 )R26 - 34

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