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- PDB-4dv5: Crystal structure of the Thermus thermophilus 30S ribosomal subun... -

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Basic information

Entry
Database: PDB / ID: 4dv5
TitleCrystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A914G, bound with streptomycin
Components
  • (ribosomal protein ...) x 20
  • 16S rRNA
KeywordsRIBOSOME/ANTIBIOTIC / decoding / Streptomycin / RNA structure / antibiotic resistance / RIBOSOME-ANTIBIOTIC complex
Function / homology
Function and homology information


ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding ...ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
Similarity search - Function
Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A ...Ribosomal protein S4/S9, N-terminal domain / Ribosomal Protein S4 Delta 41; Chain A, domain 1 / S16 Ribosomal Protein; Chain: A; / Ribosomal protein S16 / Ribosomal protein S18 / 30s Ribosomal Protein S18 / 30s ribosomal protein s13; domain 2 / Ribosomal protein S13/S18, C-terminal domain / Ribosomal protein S20 / 30s Ribosomal Protein S19; Chain A / Ribosomal protein S19/S15 / Ribosomal protein S3, C-terminal domain / Ribosomal Protein S14/S29 / 30s Ribosomal Protein S14; Chain N / Ribosomal Protein S8; Chain: A, domain 1 - #30 / RNA-binding S4 domain / Ribosomal Protein S7 / Ribosomal protein S7/S5 / Ribosomal protein S6/Translation elongation factor EF1B / Ribosomal protein S3 C-terminal domain / Helix hairpin bin / Dna Ligase; domain 1 - #10 / Ribosomal protein S11/S14 / Ribosomal protein S10 / Structural Genomics Hypothetical 15.5 Kd Protein In mrcA-pckA Intergenic Region; Chain A / S15/NS1, RNA-binding / K homology (KH) domain / Double Stranded RNA Binding Domain - #20 / Helicase, Ruva Protein; domain 3 - #50 / Glucose-6-phosphate isomerase like protein; domain 1 / Ribosomal Protein S8; Chain: A, domain 1 / Ribosomal Protein S5; domain 2 - #10 / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / GMP Synthetase; Chain A, domain 3 / Ribosomal Protein S5; domain 2 / Double Stranded RNA Binding Domain / Ribosomal protein S14, type Z / Helicase, Ruva Protein; domain 3 / Nucleic acid-binding proteins / Dna Ligase; domain 1 / Methane Monooxygenase Hydroxylase; Chain G, domain 1 / Ribosomal protein S14/S29 / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S4, bacterial-type / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein S16 / Ribosomal protein S15, bacterial-type / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Ribosomal protein S12, bacterial-type / Translation elongation factor EF1B/ribosomal protein S6 / Ribosomal protein S18 / Ribosomal protein S18 / Ribosomal protein S18 superfamily / K Homology domain / K homology RNA-binding domain / Few Secondary Structures / Irregular / Ribosomal protein S10, conserved site / Ribosomal protein S10 signature. / Ribosomal protein S3, conserved site / Ribosomal protein S3 signature. / Ribosomal protein S14, conserved site / Ribosomal protein S14 signature. / Ribosomal protein S2 signature 1. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / Ribosomal protein S19 signature. / Ribosomal protein S10 / : / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S19 / Ribosomal protein S2, conserved site
Similarity search - Domain/homology
STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 ...STREPTOMYCIN / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS9 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS19 / 30S ribosomal protein S17 / 30S ribosomal protein S14 type Z / 30S ribosomal protein S8 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bTHX / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein bS18
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 3.683 Å
AuthorsDemirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
CitationJournal: To be Published
Title: A structural basis for streptomycin resistance
Authors: Demirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
History
DepositionFeb 22, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 27, 2013Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 16S rRNA
B: ribosomal protein S2
C: ribosomal protein S3
D: ribosomal protein S4
E: ribosomal protein S5
F: ribosomal protein S6
G: ribosomal protein S7
H: ribosomal protein S8
I: ribosomal protein S9
J: ribosomal protein S10
K: ribosomal protein S11
L: ribosomal protein S12
M: ribosomal protein S13
N: ribosomal protein S14
O: ribosomal protein S15
P: ribosomal protein S16
Q: ribosomal protein S17
R: ribosomal protein S18
S: ribosomal protein S19
T: ribosomal protein S20
U: ribosomal protein THX
hetero molecules


Theoretical massNumber of molelcules
Total (without water)791,299297
Polymers783,95221
Non-polymers7,348276
Water7,008389
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)402.127, 402.127, 172.611
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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Components

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RNA chain , 1 types, 1 molecules A

#1: RNA chain 16S rRNA


Mass: 494186.781 Da / Num. of mol.: 1 / Mutation: A914G / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: M26923.1

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Ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein ribosomal protein S2


Mass: 29317.703 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80371
#3: Protein ribosomal protein S3


Mass: 26751.076 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80372
#4: Protein ribosomal protein S4


Mass: 24373.447 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80373
#5: Protein ribosomal protein S5


Mass: 17583.416 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ5
#6: Protein ribosomal protein S6


Mass: 11988.753 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLP8
#7: Protein ribosomal protein S7


Mass: 18050.973 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P17291
#8: Protein ribosomal protein S8


Mass: 15868.570 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ2, UniProt: P0DOY9*PLUS
#9: Protein ribosomal protein S9


Mass: 14410.614 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80374
#10: Protein ribosomal protein S10


Mass: 11954.968 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHN7
#11: Protein ribosomal protein S11


Mass: 13737.868 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80376
#12: Protein ribosomal protein S12


Mass: 14966.846 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: F6DEQ7, UniProt: Q5SHN3*PLUS
#13: Protein ribosomal protein S13


Mass: 14338.861 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80377
#14: Protein ribosomal protein S14


Mass: 7158.725 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHQ1, UniProt: P0DOY6*PLUS
#15: Protein ribosomal protein S15


Mass: 10578.407 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SJ76
#16: Protein ribosomal protein S16


Mass: 10409.983 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SJH3
#17: Protein ribosomal protein S17


Mass: 12324.670 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS
#18: Protein ribosomal protein S18


Mass: 10258.299 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SLQ0
#19: Protein ribosomal protein S19


Mass: 10605.464 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP2
#20: Protein ribosomal protein S20


Mass: 11736.143 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: P80380
#21: Protein/peptide ribosomal protein THX


Mass: 3350.030 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SIH3

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Non-polymers , 4 types, 665 molecules

#22: Chemical ChemComp-SRY / STREPTOMYCIN / STREPTOMYCIN A


Mass: 581.574 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C21H39N7O12 / Comment: medication, antibiotic*YM
#23: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 273 / Source method: obtained synthetically / Formula: Mg
#24: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#25: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 389 / Source method: isolated from a natural source / Formula: H2O

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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: 4.45 Å3/Da / Density % sol: 72.36 %
Crystal growTemperature: 277 K / Method: hanging drop / pH: 6.5 / Details: MPD, pH 6.5, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.98 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 7, 2010
RadiationMonochromator: Kohzu HLD8-24 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 3.683→35 Å / Num. all: 149012 / Num. obs: 149012 / % possible obs: 98.3 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 2.9 % / Rmerge(I) obs: 0.102 / Χ2: 1.087 / Net I/σ(I): 9.6
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.683-3.832.70.608147571.015198.5
3.83-3.992.80.45149211.05199.5
3.99-4.172.80.345149441.07199.6
4.17-4.392.90.25149691.101199.5
4.39-4.662.90.182149581.13199.3
4.66-5.022.90.138149721.16199.2
5.02-5.522.90.108149601.06198.8
5.52-6.322.90.093149091.132198
6.32-7.942.90.07148461.1196.9
7.94-352.90.05147761.042193.5

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIXdev_978refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
PHENIXdev_978phasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.683→34.555 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8643 / SU ML: 0.33 / σ(F): 1.34 / Phase error: 20.53 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2115 7392 4.96 %FROM PDB ENTRY 2VQE
Rwork0.1558 ---
obs0.1586 148962 98.14 %-
all-148962 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 87.605 Å2 / ksol: 0.247 e/Å3
Displacement parametersBiso max: 485.9 Å2 / Biso mean: 148.6345 Å2 / Biso min: 14.94 Å2
Baniso -1Baniso -2Baniso -3
1--14.4644 Å2-0 Å20 Å2
2---14.4644 Å20 Å2
3---22.2271 Å2
Refinement stepCycle: LAST / Resolution: 3.683→34.555 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32508 315 389 52300
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01556218
X-RAY DIFFRACTIONf_angle_d1.82183458
X-RAY DIFFRACTIONf_chiral_restr0.09910400
X-RAY DIFFRACTIONf_plane_restr0.014882
X-RAY DIFFRACTIONf_dihedral_angle_d20.67426010
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.683-3.72490.32822240.27414453467794
3.7249-3.76860.30262720.2484678495098
3.7686-3.81450.32772050.24494727493299
3.8145-3.86280.2892570.23024708496599
3.8628-3.91350.26962470.222747575004100
3.9135-3.96710.2592370.212947234960100
3.9671-4.02370.2812730.216847405013100
4.0237-4.08360.25832740.202947054979100
4.0836-4.14730.23522400.18354738497899
4.1473-4.21520.2622450.172847715016100
4.2152-4.28780.22622400.1734739497999
4.2878-4.36560.23862670.16764718498599
4.3656-4.44940.21372670.160347314998100
4.4494-4.540.22242620.15384731499399
4.54-4.63850.19152350.14464743497899
4.6385-4.74610.21952250.13974767499299
4.7461-4.86450.19582430.13664781502499
4.8645-4.99570.20182640.13144714497899
4.9957-5.14220.20992250.12954781500699
5.1422-5.30760.19762460.12684723496999
5.3076-5.49660.17522530.11834752500599
5.4966-5.71570.20382470.11784731497898
5.7157-5.97460.16592280.12374753498198
5.9746-6.28780.18922260.12174738496498
6.2878-6.67910.17332510.11944735498698
6.6791-7.19050.17032430.11624721496497
7.1905-7.90630.18182290.11644697492696
7.9063-9.03250.15882700.11954633490395
9.0325-11.31330.17922390.13524740497996
11.3133-34.55640.2372580.21144642490090
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)
10.66330.0561-0.13190.7346-0.02270.5491-0.0028-0.0671-0.17920.22940.05170.13650.23850.0626-0.04540.80790.1250.08840.7094-0.02310.881143.010183.0253-12.6552
23.634-0.60820.38970.5750.12310.4842-0.0414-1.65620.76740.43140.241-0.4076-0.05240.2081-0.17671.1794-0.12890.02362.1995-0.75391.6686222.156127.75199.9241
31.63180.273-0.57340.0449-0.27950.4827-0.1666-0.1133-0.6292-0.09140.2353-0.46340.18570.1091-0.04821.20450.1385-0.00771.156-0.02641.4167165.068970.4031-25.413
42.94282.05621.15937.3812-2.8732.795-0.92680.4555-0.0656-0.88010.9974-1.4134-0.09320.1309-0.08211.395-0.09860.27660.94050.12371.2236156.4129157.3702-34.3238
52.74392.9562-2.72667.2632-4.08063.3752-1.06991.2880.1716-3.3221-0.5939-1.82860.6031-0.10931.50661.6822-0.01560.31211.03380.22851.2018152.9422150.2899-36.9682
66.05163.47775.09168.06053.47894.33350.2679-1.7171-0.0247-0.1536-0.53321.4360.7489-2.54440.2761.3257-0.25280.55591.29050.03861.9763148.3044159.5164-20.526
72.3061-3.6609-2.30176.79623.71692.36720.50380.15040.6886-0.6099-0.7073-1.2849-1.01260.7060.27480.9456-0.13990.15061.37650.15211.1365165.0696162.3543-16.9663
82.64783.13732.41557.2227-0.92597.20070.1374-0.5981.0114-0.11951.2047-1.0125-1.20181.5596-1.17440.8997-0.10370.44221.1189-0.45371.4567174.4104155.7346-6.0103
95.868-0.7760.21115.5106-3.56232.38580.24470.26650.12610.95941.2365-2.6714-0.05232.3611-1.41471.5048-0.38780.18722.3731-1.21792.2966189.6695161.0759-4.1033
108.26435.38126.86947.31891.92587.4535-0.12950.18130.21470.06580.3478-0.5876-0.44440.8773-0.3230.86810.08510.4630.7191-0.08891.9682164.9577155.4364-12.2169
113.0739-4.12982.49259.3415-2.07162.52150.07350.2489-0.3996-1.74140.3164-0.73150.45140.837-0.33551.1819-0.07130.51920.7161-0.29091.5935158.5199149.4169-20.3781
123.5562-0.1204-0.75374.1893.50686.5216-0.17440.3220.5143-0.68290.3346-0.8828-1.61040.0221-0.21231.80910.06810.84530.6135-0.02822.4647157.9493167.1851-20.8048
132.2537-1.0286-3.90010.53211.68696.8343-0.39310.04980.5747-0.32640.45790.6397-0.6588-0.21810.02344.08-0.11110.5141.2868-0.56043.1258163.1594173.9859-22.604
140.47050.16610.89660.623-0.56672.9668-0.00910.12130.16250.17610.14930.3612-0.2884-0.94410.31211.5438-0.03380.10593.2904-1.47471.7972208.727136.322928.381
152.0241-3.17522.64265.0262-4.32184.1205-1.0364-0.65232.3030.4536-1.16540.4815-0.55680.09832.07391.60360.1337-0.50053.2487-1.33722.4474207.3576142.010236.2277
160.49790.17570.07760.0610.02510.01330.0848-0.62410.01551.0422-0.20040.2264-0.2977-0.96310.16712.5170.4058-0.20574.3805-0.28071.0067197.9942136.734445.67
170.2454-0.1669-0.3340.2473-0.00930.7742-0.4465-0.3580.3728-0.33050.5386-0.1629-0.0585-0.0712-0.07541.89850.1478-0.60993.1964-0.58711.1123199.1452140.780537.1572
184.65081.37710.05442.1106-0.80223.04710.0685-0.79910.77890.79570.72770.20370.1137-0.0938-0.74210.95250.05250.16952.3902-0.44741.1444187.8571130.000917.6783
194.09692.0699-1.60613.6745-3.61934.78270.3584-0.3065-0.18350.0605-0.1141-0.47510.1543-0.4658-0.21830.9227-0.15430.20313.0056-0.74371.5112194.2589130.321920.218
203.5581-0.2374-1.7863.01543.9816.54690.00190.544-0.4493-0.0595-0.57480.84230.2785-0.37660.50692.0998-0.8801-0.85111.1728-0.02831.5305154.2142104.801134.1067
214.26020.62323.76654.05111.59643.6011-0.048-0.6232-0.03350.548-0.41430.59020.07490.55180.40062.22810.69980.47211.8784-0.30471.092151.1038114.718939.9126
226.48040.83530.0926.17512.48986.77990.5717-0.91680.6770.4269-0.1965-0.7542-0.37931.1201-0.52211.65750.34040.02981.3646-0.38950.7309158.2738112.30125.7154
236.1904-0.02740.80984.33230.17373.92020.1786-0.7602-0.26520.9691-0.12670.3880.022-0.38750.02251.43020.12040.31130.8635-0.05590.6867133.6047104.891134.7713
242.5846-0.608-3.81415.2469-0.63036.45540.77990.13631.3211-0.3347-0.10110.5224-1.7623-1.1532-0.35521.02360.3824-0.10081.16050.05870.9278136.1155113.125926.8876
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1122.2540.139-0.37432.67680.72981.854-0.0176-0.3142-0.2768-0.015-0.6419-0.83110.07470.52780.5671.52060.32620.13161.17530.42111.3115191.7105124.9844-71.5874
1134.78071.5632-1.61558.0482-6.96966.73340.243-0.346-0.9123-0.88760.44891.14871.1399-2.3604-0.78432.10610.8894-1.0673.254-1.25382.7814251.5746111.357128.0128
1147.8371-3.19956.13878.9701-3.64846.7391-1.8719-0.70680.91831.5496-0.5041-0.2332-0.6918-0.56792.25591.89030.5945-0.17633.15070.04921.9232248.965595.735437.5455
1152.87212.87854.69314.28615.73998.4356-0.6188-0.3261.0475-0.704-0.91612.49480.2176-1.97511.54611.684-1.0785-0.64054.33360.35153.4888256.295599.200432.6382
1162.73332.6487-4.32832.8497-4.22786.8725-0.1720.54520.03680.2983-0.3684-0.94770.4232-0.85170.53152.60640.83850.22412.3296-0.2291.8065248.43192.084830.7425
1170.4276-0.0922-0.00580.0245-0.00410.0048-0.13670.2799-0.2491-0.1450.0987-0.0736-0.0555-0.9391-0.03231.76590.4659-0.20533.49350.37181.7853242.322690.298426.0916
1188.652-0.43877.55312.7567-1.32328.6140.5358-0.3593-0.432-0.7073-0.4703-0.12260.06010.7026-0.07281.69620.6528-0.43832.810.26011.8883248.260996.126320.1265
1194.73250.70084.4261.55221.23584.3901-0.2073-0.19410.3394-0.15930.40720.17120.44850.3346-0.17981.2914-0.21480.31080.61590.16051.2608112.89740.9774-15.9852
1204.24720.29210.41926.6824-1.98051.62850.4992-0.68360.12850.5303-0.11791.01540.3812-0.4491-0.07551.18550.05970.12520.7520.81221.5967100.076544.7181-25.5692
1214.86551.34143.71956.72814.29214.5325-0.53090.60370.7777-0.0437-0.85320.31980.5551-0.31121.30981.1813-0.42210.07591.50590.48251.748799.278449.8129-35.5264
1226.0131-4.81442.99233.8937-2.03624.71380.2561-0.2668-1.68220.5899-0.24991.75960.699-1.254-0.00871.2689-0.40360.15372.2207-0.29692.7718251.0072124.01343.0058
1234.8896-2.0668-1.09611.7070.08346.00260.2837-0.34561.202-0.464-0.12870.6095-1.498-0.3295-0.10991.6520.4239-0.12751.7222-1.1132.4365248.1637129.87064.3925
1242.95241.86471.78612.3770.87832.1484-0.34010.04470.20240.3388-0.0417-0.2478-0.53410.22310.32112.0669-0.8457-0.14343.1039-1.45922.6642252.618130.990911.4853
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resseq 5:920)A5 - 920
2X-RAY DIFFRACTION2chain 'A' and (resseq 921:1400)A921 - 1400
3X-RAY DIFFRACTION3chain 'A' and (resseq 1401:1544)A0
4X-RAY DIFFRACTION4chain 'B' and (resseq 7:25)B7 - 25
5X-RAY DIFFRACTION5chain 'B' and (resseq 26:43)B26 - 43
6X-RAY DIFFRACTION6chain 'B' and (resseq 44:62)B44 - 62
7X-RAY DIFFRACTION7chain 'B' and (resseq 63:87)B63 - 87
8X-RAY DIFFRACTION8chain 'B' and (resseq 88:122)B88 - 122
9X-RAY DIFFRACTION9chain 'B' and (resseq 123:149)B123 - 149
10X-RAY DIFFRACTION10chain 'B' and (resseq 150:170)B150 - 170
11X-RAY DIFFRACTION11chain 'B' and (resseq 171:207)B171 - 207
12X-RAY DIFFRACTION12chain 'B' and (resseq 208:226)B208 - 226
13X-RAY DIFFRACTION13chain 'B' and (resseq 227:240)B227 - 240
14X-RAY DIFFRACTION14chain 'C' and (resseq 2:50)C2 - 50
15X-RAY DIFFRACTION15chain 'C' and (resseq 51:66)C51 - 66
16X-RAY DIFFRACTION16chain 'C' and (resseq 67:93)C67 - 93
17X-RAY DIFFRACTION17chain 'C' and (resseq 94:112)C94 - 112
18X-RAY DIFFRACTION18chain 'C' and (resseq 113:181)C113 - 181
19X-RAY DIFFRACTION19chain 'C' and (resseq 182:207)C182 - 207
20X-RAY DIFFRACTION20chain 'D' and (resseq 2:14)D2 - 14
21X-RAY DIFFRACTION21chain 'D' and (resseq 15:34)D15 - 34
22X-RAY DIFFRACTION22chain 'D' and (resseq 35:68)D35 - 68
23X-RAY DIFFRACTION23chain 'D' and (resseq 69:175)D69 - 175
24X-RAY DIFFRACTION24chain 'D' and (resseq 176:209)D176 - 209
25X-RAY DIFFRACTION25chain 'E' and (resseq 5:16)E5 - 16
26X-RAY DIFFRACTION26chain 'E' and (resseq 17:27)E17 - 27
27X-RAY DIFFRACTION27chain 'E' and (resseq 28:50)E28 - 50
28X-RAY DIFFRACTION28chain 'E' and (resseq 51:63)E51 - 63
29X-RAY DIFFRACTION29chain 'E' and (resseq 64:79)E64 - 79
30X-RAY DIFFRACTION30chain 'E' and (resseq 80:86)E80 - 86
31X-RAY DIFFRACTION31chain 'E' and (resseq 87:103)E87 - 103
32X-RAY DIFFRACTION32chain 'E' and (resseq 104:141)E104 - 141
33X-RAY DIFFRACTION33chain 'E' and (resseq 142:154)E142 - 154
34X-RAY DIFFRACTION34chain 'F' and (resseq 1:10)F1 - 10
35X-RAY DIFFRACTION35chain 'F' and (resseq 11:33)F11 - 33
36X-RAY DIFFRACTION36chain 'F' and (resseq 34:47)F34 - 47
37X-RAY DIFFRACTION37chain 'F' and (resseq 48:56)F48 - 56
38X-RAY DIFFRACTION38chain 'F' and (resseq 57:68)F57 - 68
39X-RAY DIFFRACTION39chain 'F' and (resseq 69:81)F69 - 81
40X-RAY DIFFRACTION40chain 'F' and (resseq 82:92)F82 - 92
41X-RAY DIFFRACTION41chain 'F' and (resseq 93:101)F93 - 101
42X-RAY DIFFRACTION42chain 'G' and (resseq 2:11)G2 - 11
43X-RAY DIFFRACTION43chain 'G' and (resseq 12:53)G12 - 53
44X-RAY DIFFRACTION44chain 'G' and (resseq 54:68)G54 - 68
45X-RAY DIFFRACTION45chain 'G' and (resseq 69:78)G69 - 78
46X-RAY DIFFRACTION46chain 'G' and (resseq 79:92)G79 - 92
47X-RAY DIFFRACTION47chain 'G' and (resseq 93:110)G93 - 110
48X-RAY DIFFRACTION48chain 'G' and (resseq 111:144)G111 - 144
49X-RAY DIFFRACTION49chain 'G' and (resseq 145:156)G145 - 156
50X-RAY DIFFRACTION50chain 'H' and (resseq 1:29)H1 - 29
51X-RAY DIFFRACTION51chain 'H' and (resseq 30:63)H30 - 63
52X-RAY DIFFRACTION52chain 'H' and (resseq 64:73)H64 - 73
53X-RAY DIFFRACTION53chain 'H' and (resseq 74:96)H74 - 96
54X-RAY DIFFRACTION54chain 'H' and (resseq 97:102)H97 - 102
55X-RAY DIFFRACTION55chain 'H' and (resseq 103:116)H103 - 116
56X-RAY DIFFRACTION56chain 'H' and (resseq 117:138)H117 - 138
57X-RAY DIFFRACTION57chain 'I' and (resseq 2:13)I2 - 13
58X-RAY DIFFRACTION58chain 'I' and (resseq 14:32)I14 - 32
59X-RAY DIFFRACTION59chain 'I' and (resseq 33:40)I33 - 40
60X-RAY DIFFRACTION60chain 'I' and (resseq 41:52)I41 - 52
61X-RAY DIFFRACTION61chain 'I' and (resseq 53:69)I53 - 69
62X-RAY DIFFRACTION62chain 'I' and (resseq 70:88)I70 - 88
63X-RAY DIFFRACTION63chain 'I' and (resseq 89:119)I89 - 119
64X-RAY DIFFRACTION64chain 'I' and (resseq 120:128)I120 - 128
65X-RAY DIFFRACTION65chain 'J' and (resseq 3:12)J3 - 12
66X-RAY DIFFRACTION66chain 'J' and (resseq 13:27)J13 - 27
67X-RAY DIFFRACTION67chain 'J' and (resseq 28:42)J28 - 42
68X-RAY DIFFRACTION68chain 'J' and (resseq 43:47)J43 - 47
69X-RAY DIFFRACTION69chain 'J' and (resseq 48:62)J48 - 62
70X-RAY DIFFRACTION70chain 'J' and (resseq 63:78)J63 - 78
71X-RAY DIFFRACTION71chain 'J' and (resseq 79:94)J79 - 94
72X-RAY DIFFRACTION72chain 'J' and (resseq 95:100)J95 - 100
73X-RAY DIFFRACTION73chain 'K' and (resseq 11:15)K11 - 15
74X-RAY DIFFRACTION74chain 'K' and (resseq 16:57)K16 - 57
75X-RAY DIFFRACTION75chain 'K' and (resseq 58:75)K58 - 75
76X-RAY DIFFRACTION76chain 'K' and (resseq 76:90)K76 - 90
77X-RAY DIFFRACTION77chain 'K' and (resseq 91:107)K91 - 107
78X-RAY DIFFRACTION78chain 'K' and (resseq 108:126)K108 - 126
79X-RAY DIFFRACTION79chain 'L' and (resseq 5:12)L5 - 12
80X-RAY DIFFRACTION80chain 'L' and (resseq 13:32)L13 - 32
81X-RAY DIFFRACTION81chain 'L' and (resseq 33:101)L33 - 101
82X-RAY DIFFRACTION82chain 'L' and (resseq 102:128)L102 - 128
83X-RAY DIFFRACTION83chain 'M' and (resseq 2:14)M2 - 14
84X-RAY DIFFRACTION84chain 'M' and (resseq 15:119)M15 - 119
85X-RAY DIFFRACTION85chain 'N' and (resseq 2:11)N2 - 11
86X-RAY DIFFRACTION86chain 'N' and (resseq 12:21)N12 - 21
87X-RAY DIFFRACTION87chain 'N' and (resseq 22:26)N22 - 26
88X-RAY DIFFRACTION88chain 'N' and (resseq 27:31)N27 - 31
89X-RAY DIFFRACTION89chain 'N' and (resseq 32:40)N32 - 40
90X-RAY DIFFRACTION90chain 'N' and (resseq 41:50)N41 - 50
91X-RAY DIFFRACTION91chain 'N' and (resseq 51:61)N51 - 61
92X-RAY DIFFRACTION92chain 'O' and (resseq 2:15)O2 - 15
93X-RAY DIFFRACTION93chain 'O' and (resseq 16:44)O16 - 44
94X-RAY DIFFRACTION94chain 'O' and (resseq 45:73)O45 - 73
95X-RAY DIFFRACTION95chain 'O' and (resseq 74:88)O74 - 88
96X-RAY DIFFRACTION96chain 'P' and (resseq 1:16)P1 - 16
97X-RAY DIFFRACTION97chain 'P' and (resseq 17:39)P17 - 39
98X-RAY DIFFRACTION98chain 'P' and (resseq 40:52)P40 - 52
99X-RAY DIFFRACTION99chain 'P' and (resseq 53:61)P53 - 61
100X-RAY DIFFRACTION100chain 'P' and (resseq 62:76)P62 - 76
101X-RAY DIFFRACTION101chain 'P' and (resseq 77:83)P77 - 83
102X-RAY DIFFRACTION102chain 'Q' and (resseq 2:28)Q2 - 28
103X-RAY DIFFRACTION103chain 'Q' and (resseq 29:45)Q29 - 45
104X-RAY DIFFRACTION104chain 'Q' and (resseq 46:81)Q46 - 81
105X-RAY DIFFRACTION105chain 'Q' and (resseq 82:100)Q82 - 100
106X-RAY DIFFRACTION106chain 'R' and (resseq 19:28)R19 - 28
107X-RAY DIFFRACTION107chain 'R' and (resseq 29:36)R29 - 36
108X-RAY DIFFRACTION108chain 'R' and (resseq 37:43)R37 - 43
109X-RAY DIFFRACTION109chain 'R' and (resseq 44:52)R44 - 52
110X-RAY DIFFRACTION110chain 'R' and (resseq 53:59)R53 - 59
111X-RAY DIFFRACTION111chain 'R' and (resseq 60:75)R60 - 75
112X-RAY DIFFRACTION112chain 'R' and (resseq 76:88)R76 - 88
113X-RAY DIFFRACTION113chain 'S' and (resseq 2:12)S2 - 12
114X-RAY DIFFRACTION114chain 'S' and (resseq 13:39)S13 - 39
115X-RAY DIFFRACTION115chain 'S' and (resseq 40:44)S40 - 44
116X-RAY DIFFRACTION116chain 'S' and (resseq 45:52)S45 - 52
117X-RAY DIFFRACTION117chain 'S' and (resseq 53:61)S53 - 61
118X-RAY DIFFRACTION118chain 'S' and (resseq 62:81)S62 - 81
119X-RAY DIFFRACTION119chain 'T' and (resseq 8:46)T8 - 46
120X-RAY DIFFRACTION120chain 'T' and (resseq 47:75)T47 - 75
121X-RAY DIFFRACTION121chain 'T' and (resseq 76:106)T76 - 106
122X-RAY DIFFRACTION122chain 'U' and (resseq 2:8)U2 - 8
123X-RAY DIFFRACTION123chain 'U' and (resseq 9:14)U9 - 14
124X-RAY DIFFRACTION124chain 'U' and (resseq 15:25)U15 - 25

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