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- PDB-4dr6: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 4dr6
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, near-cognate transfer RNA anticodon stem-loop mismatched at the first codon position and streptomycin bound
Components
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
  • 5'-R(*UP*UP*U)-3'
  • 5'-R(*UP*UP*UP*U)-3'
  • 5'-R(P*CP*UP*UP*GP*AP*GP*GP*(PSU)P*GP*GP*U)-3'
  • 5'-R(P*UP*UP*GP*AP*GP*GP*(PSU)P*GP*G)-3'
KeywordsRIBOSOME/ANTIBIOTIC / decoding / Streptomycin / RNA structure / antibiotic resistance / RIBOSOME-ANTIBIOTIC complex
Function / homology
Function and homology information


small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / 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 S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S13, 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 / Ribosomal protein S16 domain superfamily / 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 / Ribosomal protein S3, conserved site / Ribosomal protein S14, conserved site / Ribosomal protein S10, conserved site / : / K Homology domain, type 2 / Ribosomal protein S3, C-terminal / Ribosomal protein S3, C-terminal domain superfamily / Ribosomal protein S15/S19, conserved site / KH domain / Ribosomal protein S19/S15 / Ribosomal protein S19/S15, superfamily / Ribosomal protein S10 / Ribosomal protein S3, C-terminal domain / Few Secondary Structures / Irregular / Ribosomal protein S3 signature. / Ribosomal protein S10 signature. / Ribosomal protein S14 signature. / Ribosomal protein S7, conserved site / Ribosomal protein S17, conserved site / K homology domain superfamily, prokaryotic type / Ribosomal protein S19 / Ribosomal protein S2 signature 1. / 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: 3.3 Å
AuthorsDemirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
CitationJournal: Nat Commun / Year: 2013
Title: A structural basis for streptomycin-induced misreading of the genetic code.
Authors: Demirci, H. / Murphy, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
History
DepositionFeb 16, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 14, 2012Provider: repository / Type: Initial release
Revision 1.1Jan 23, 2013Group: Database references
Revision 1.2Jan 30, 2013Group: Database references

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 16S rRNA
B: 30S ribosomal protein S2
C: 30S ribosomal protein S3
D: 30S ribosomal protein S4
E: 30S ribosomal protein S5
F: 30S ribosomal protein S6
G: 30S ribosomal protein S7
H: 30S ribosomal protein S8
I: 30S ribosomal protein S9
J: 30S ribosomal protein S10
K: 30S ribosomal protein S11
L: 30S ribosomal protein S12
M: 30S ribosomal protein S13
N: 30S ribosomal protein S14
O: 30S ribosomal protein S15
P: 30S ribosomal protein S16
Q: 30S ribosomal protein S17
R: 30S ribosomal protein S18
S: 30S ribosomal protein S19
T: 30S ribosomal protein S20
U: 30S ribosomal protein THX
V: 5'-R(*UP*UP*UP*U)-3'
W: 5'-R(P*UP*UP*GP*AP*GP*GP*(PSU)P*GP*G)-3'
a: 5'-R(P*CP*UP*UP*GP*AP*GP*GP*(PSU)P*GP*GP*U)-3'
b: 5'-R(*UP*UP*U)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)802,309404
Polymers792,45825
Non-polymers9,851379
Water16,340907
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)402.600, 402.600, 174.900
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 , 5 types, 5 molecules AVWab

#1: RNA chain 16S rRNA /


Mass: 494170.781 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: GenBank: M26923.1
#22: RNA chain 5'-R(*UP*UP*UP*U)-3'


Mass: 1179.706 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: mRNA A Site / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8
#23: RNA chain 5'-R(P*UP*UP*GP*AP*GP*GP*(PSU)P*GP*G)-3'


Mass: 2928.774 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ASL (Leucine 2) A Site / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8
#24: RNA chain 5'-R(P*CP*UP*UP*GP*AP*GP*GP*(PSU)P*GP*GP*U)-3'


Mass: 3540.122 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ASL (Leucine 2) Shine Dalgarno mini helix / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8
#25: RNA chain 5'-R(*UP*UP*U)-3'


Mass: 873.540 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: mRNA / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8

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30S ribosomal protein ... , 20 types, 20 molecules BCDEFGHIJKLMNOPQRSTU

#2: Protein 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S 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 30S ribosomal protein THX / Ribosome


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, 1286 molecules

#26: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 376 / Source method: obtained synthetically / Formula: Mg
#27: Chemical ChemComp-SRY / STREPTOMYCIN / STREPTOMYCIN A / Streptomycin


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


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


Mass: 18.015 Da / Num. of mol.: 907 / 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: 4.47 Å3/Da / Density % sol: 72.49 %
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: NSLS / Beamline: X25 / Wavelength: 1.1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 28, 2011
RadiationMonochromator: double crystal Si(111) monochromator with cryogenically-cooled first crystal and sagittally-bent second crystal horizontally-focusing at 3.3:1 demagnification
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionNumber: 2412927 / Rmerge(I) obs: 0.092 / D res high: 3.3 Å / Num. obs: 213602 / % possible obs: 99.9
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)Num. obs% possible obs (%)IDRmerge(I) obs
14.7650256796.510.03
10.4414.76458210010.035
8.5210.44584710010.039
7.388.52682910010.044
6.67.38769410010.049
6.026.6846610010.058
5.586.02920910010.063
5.225.58983610010.07
4.925.221046910010.078
4.674.921102010010.091
4.454.671159710010.105
4.264.451208810010.133
4.094.261262310010.167
3.944.091309010010.221
3.813.941355210010.285
3.693.811399210010.376
3.583.691441310010.526
3.483.581486110010.729
3.393.481524710010.939
3.33.391562010011.174
ReflectionResolution: 3.3→50 Å / Num. all: 213602 / Num. obs: 213602 / % possible obs: 99.9 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Biso Wilson estimate: 104.363 Å2 / Rmerge(I) obs: 0.092 / Net I/σ(I): 18.75
Reflection shell
Resolution (Å)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. unique obsDiffraction-ID% possible all
3.3-3.390.0122.02178392156201100
3.39-3.480.0122.62176841152471100
3.48-3.580.0123.36165923148611100
3.58-3.690.0124.68169268144131100
3.69-3.810.0126.49162400139921100
3.81-3.940.0128.41150652135521100
3.94-4.090.01210.84152802130901100
4.09-4.260.01213.95145282126231100
4.26-4.450.01217.34136093120881100
4.45-4.670.01221.73134360115971100
4.67-4.920.01224.54122061110201100
4.92-5.220.01228.82119686104691100
5.22-5.580.01231.5610925598361100
5.58-6.020.01234.8110441692091100
6.02-6.60.01236.529379184661100
6.6-7.380.01242.128513476941100
7.38-8.520.01246.247273968291100
8.52-10.440.01249.936161858471100
10.44-14.760.01254.054728945821100
14.76-500.01254.5249252567196.5

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Processing

Software
NameVersionClassificationNB
XSCALEdata scaling
PHENIXdev_978refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
XDSdata reduction
PHENIXdev_978phasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.3→49.484 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.8899 / SU ML: 0.33 / σ(F): 1.99 / Phase error: 17.93 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.1918 10749 5.03 %FROM PDB ENTRY 2VQE
Rwork0.1534 ---
obs0.1554 213574 99.97 %-
all-213574 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 57.15 Å2 / ksol: 0.262 e/Å3
Displacement parametersBiso max: 550 Å2 / Biso mean: 120.8243 Å2 / Biso min: 26.96 Å2
Baniso -1Baniso -2Baniso -3
1-2.4527 Å20 Å20 Å2
2--2.4527 Å20 Å2
3---10.6777 Å2
Refinement stepCycle: LAST / Resolution: 3.3→49.484 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19127 33097 418 907 53549
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00657427
X-RAY DIFFRACTIONf_angle_d0.94685762
X-RAY DIFFRACTIONf_chiral_restr0.06510541
X-RAY DIFFRACTIONf_plane_restr0.0054924
X-RAY DIFFRACTIONf_dihedral_angle_d17.61626342
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
3.3-3.33740.31353420.258666186960
3.3374-3.37670.26073840.239367177101
3.3767-3.41780.28473520.228966707022
3.4178-3.46110.2483390.215967127051
3.4611-3.50660.24593660.21266977063
3.5066-3.55470.25373520.208766987050
3.5547-3.60540.25053610.203466677028
3.6054-3.65920.25423830.186767097092
3.6592-3.71640.21083500.171967007050
3.7164-3.77730.19893610.163667047065
3.7773-3.84240.19443840.157666787062
3.8424-3.91220.19473560.15767097065
3.9122-3.98750.18753400.151967647104
3.9875-4.06880.19173440.147867317075
4.0688-4.15720.20893450.143667277072
4.1572-4.25390.18513590.1467357094
4.2539-4.36020.18433510.136267187069
4.3602-4.4780.17443700.131367707140
4.478-4.60970.18283160.128367777093
4.6097-4.75840.17263520.127867277079
4.7584-4.92830.17383320.120167937125
4.9283-5.12540.15933410.123267857126
5.1254-5.35840.17123820.132267497131
5.3584-5.64060.16863420.125468127154
5.6406-5.99340.1623900.122367857175
5.9934-6.45520.18143440.127768397183
6.4552-7.10320.1643470.124968647211
7.1032-8.12710.15693700.126468667236
8.1271-10.22440.18693990.154169337332
10.2244-49.48920.21683950.206271717566
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)
10.43770.136-0.16050.5838-0.11270.5273-0.003-0.032-0.05050.16320.08680.17250.1630.0792-0.07820.5770.1530.06340.5768-0.03260.817143.70683.4459-12.1861
21.9945-0.31570.2790.4806-0.08860.3594-0.0296-0.99510.46190.29030.0973-0.1681-0.15580.0818-0.06840.8338-0.16690.04981.6391-0.60861.1678222.8545129.25899.8616
31.70670.698-0.63720.41-0.510.2852-0.2608-0.1499-0.6323-0.25540.1627-0.5140.27970.19960.09070.92260.18380.05120.9094-0.09651.0837163.470169.0326-25.1122
42.76441.29491.39332.9191-2.26084.37080.391-0.07183.12410.5747-0.5708-1.0079-1.1022-0.17320.08581.828-0.24590.22961.4785-0.04751.7125181.227132.097-40.4929
55.63960.37462.49374.5804-4.04526.047-0.37890.42661.14740.02990.3719-0.3101-0.96060.2613-0.01792.0253-0.10710.53470.7363-0.04681.2722157.3934156.9003-35.9141
64.11940.61143.4496.00481.97675.66160.1868-0.00871.228-0.8061-0.34790.7739-0.8712-1.02340.13631.30010.06210.39960.82550.0771.8603150.8497155.9118-27.1545
76.32120.3767-0.32215.2711-2.30296.62530.26160.66041.4239-0.7493-0.1864-0.6346-1.39611.7577-0.07991.105-0.33430.59291.1694-0.08451.5776167.4805162.1616-18.7011
83.32992.11960.46513.9921-2.29624.11180.5119-0.75411.09730.3862-0.0534-0.2525-0.79380.9169-0.41630.7522-0.28480.44561.0559-0.58661.5295174.5213156.8813-6.4097
94.47681.1020.61155.8707-0.92081.6146-0.12960.45421.03841.47441.061-1.5796-0.51522.0192-0.84461.6212-0.4660.02232.0787-0.77522.2374190.7094161.5066-3.9051
102.9047-0.47021.84184.89-0.94893.4610.05510.16040.2043-0.77770.3052-0.3971-0.69880.391-0.33121.1844-0.12080.62780.7632-0.25671.6557160.6985156.0966-18.1448
111.32721.61460.59967.1634-1.93091.637-0.1685-0.05340.18990.40850.01570.3048-0.3845-0.0640.13342.3328-0.20440.32030.6306-0.00442.505163.9368174.221-22.928
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972.1880.72281.25022.91833.01313.2451-0.19090.94360.4156-0.73240.2258-0.41710.02310.0335-0.02940.8153-0.01730.19830.91370.28380.7754120.284280.8273-38.1483
981.58550.2776-0.1462.98490.43972.9968-0.15830.09180.2074-0.5880.24690.74110.1318-0.3886-0.07370.6723-0.0937-0.10180.78610.20981.2075122.216184.6572-35.269
994.5206-4.0555-0.04454.1049-1.62025.9283-0.3802-0.05850.4832-0.19640.3836-0.41510.16220.00410.00590.7277-0.1377-0.00391.04220.03361.2302138.248485.7121-44.089
1006.0068-3.6368-4.8787.17011.17934.5942-0.1064-1.7644.97570.3552-0.4576-0.7135-2.6080.57120.59321.5994-0.15120.26790.7956-0.26662.0192181.0438139.8207-63.7158
1016.17183.80982.03133.52162.65532.4268-0.60520.40121.6516-0.434-0.03310.444-0.959-0.30210.62251.98180.13640.25491.18530.09691.8232175.1267140.8427-71.9223
1023.4652-2.0571-3.12235.5653.74833.639-0.06651.14310.984-0.6773-0.29950.7775-0.9275-1.02670.30941.01440.57630.07531.72250.33551.0434172.8204129.0468-76.5567
1039.17454.72196.72258.06713.63236.50240.39591.72841.8033-1.57880.2075-1.5113-1.36431.3096-0.62070.9730.35160.57721.00490.39981.4503181.6267132.9247-74.1737
1046.2379-4.929-5.84463.92744.71155.74150.2399-0.42360.5135-0.08680.3518-2.8113-0.30183.1336-0.59430.66360.0877-0.00031.40210.03661.2167186.8392128.2925-65.6991
1057.4646-2.2716-3.58997.34852.1814.22730.56310.04630.7096-0.14310.45820.2321-0.7011-0.0836-0.980.81490.0420.20661.10120.22370.6373176.0724126.953-66.8099
1062.94851.5972.5672.50670.34382.90.29940.31860.350.12290.1271-1.20320.22920.7454-0.40280.8030.50470.13541.52450.18241.2499193.2369125.7966-70.6526
1076.65980.7389-3.37615.2581-4.3114.7269-0.15641.0325-1.4162-1.39120.55790.57712.1298-2.219-0.38481.3459-0.2264-0.61362.0866-0.45181.9322252.4158113.332727.7244
1082.3121.94190.41711.63280.25253.7578-0.5918-1.6972-0.15781.58750.4689-0.3031-0.3286-1.03820.10721.93670.6871-0.54843.34520.2131.5365251.987999.767742.2742
1097.38976.9809-6.40767.9186-4.29397.8957-0.5656-0.96080.23211.31920.1463-1.9171-0.02831.13350.41491.3975-0.2006-0.11662.4516-0.14251.6258247.036793.225137.2863
1100.19170.63960.14512.13340.48430.1099-0.2483-1.31560.57621.03580.0439-0.5631-0.31610.03310.23251.14130.0073-0.22613.2399-0.1890.9068247.8059105.005129.5588
1115.65241.62752.11515.0383-0.1662.92220.3907-1.2626-0.8070.69240.2268-0.95480.24331.0418-0.59741.1176-0.0025-0.182.2410.01241.2069250.716296.788829.1057
1124.4295-1.48265.20362.1509-1.31456.2206-0.4922-0.2588-0.07470.58340.3275-0.8028-0.46451.42570.14071.3809-0.2176-0.13011.58160.05291.464242.20997.391718.0642
1132.9133-0.34123.62251.9271-0.43897.35780.3621-0.0764-0.2989-0.150.20920.49831.0225-0.167-0.60871.031-0.1080.09790.57150.16071.0469108.084241.8881-19.6453
1140.0297-0.0097-0.01460.00850.0190.04780.24-0.654-0.0040.8430.20041.0837-0.0388-0.3291-0.43950.9828-0.08780.04341.04070.40821.2924105.664851.4786-14.7462
1151.94012.54581.84555.07153.2964.0736-0.26160.80580.4156-0.48790.4881-0.1505-1.53571.06-0.23371.2568-0.5101-0.01071.09960.52731.6307103.345152.1199-31.225
1165.0823-5.9474-4.77239.67733.73975.7341-0.03150.747-0.908-0.4243-0.72141.67171.2822-2.24590.6491.2744-0.4459-0.25451.54120.09751.310592.939347.7888-38.8206
1177.9137-3.0295-1.11951.6840.9591.2554-0.3357-0.88280.87131.41820.0969-0.2884-0.80960.74750.24551.2067-0.2322-0.0181.9355-0.94241.7934251.952125.04572.8101
1188.8742-7.29495.74358.9395-1.27488.28140.03680.0070.4296-0.83180.0849-1.1456-0.09480.8954-0.10920.8951-0.09170.27791.3455-0.78681.8168248.3542129.94094.3806
1198.55721.95591.22062.2694-1.13348.23550.0402-1.00360.88870.6972-0.59190.0781-0.8601-0.03860.51761.0068-0.1508-0.17522.525-1.09731.7869254.1537133.397210.7119
1203.44524.29992.8738.5937-0.24677.08160.502-0.95720.8287-0.04090.4027-0.8073-0.18721.032-0.86571.55920.5258-0.11863.0311-0.55422.4391193.573799.1599-0.7262
1214.12182.8028-0.91053.2053-2.56273.11360.1116-1.0494-0.00290.55110.2375-3.57050.80062.8714-0.33721.52850.6201-0.32633.3882-0.57133.264203.435694.59635.2126
1228.20320.40891.13146.6943-5.2644.39650.3483-1.20783.25912.50221.1655-0.3314-2.09931.5171-1.5882.2643-0.24650.45962.2147-0.56412.3257184.2864126.2336-39.0763
1231.99991.43395.19391.9998-0.34072.60081.13162.5074-1.3305-1.6725-1.317-3.33351.58442.70780.18641.03950.7697-0.15391.7191-0.13941.7447203.4825102.2805-19.7687
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 1401:1532)A1401 - 1532
4X-RAY DIFFRACTION4chain 'A' and (resseq 1533:1541)A1533 - 1541
5X-RAY DIFFRACTION5chain 'B' and (resseq 7:25)B7 - 25
6X-RAY DIFFRACTION6chain 'B' and (resseq 26:64)B26 - 64
7X-RAY DIFFRACTION7chain 'B' and (resseq 65:86)B65 - 86
8X-RAY DIFFRACTION8chain 'B' and (resseq 87:122)B87 - 122
9X-RAY DIFFRACTION9chain 'B' and (resseq 123:148)B123 - 148
10X-RAY DIFFRACTION10chain 'B' and (resseq 149:226)B149 - 226
11X-RAY DIFFRACTION11chain 'B' and (resseq 227:240)B227 - 240
12X-RAY DIFFRACTION12chain 'C' and (resseq 2:112)C2 - 112
13X-RAY DIFFRACTION13chain 'C' and (resseq 113:207)C113 - 207
14X-RAY DIFFRACTION14chain 'D' and (resseq 2:34)D2 - 34
15X-RAY DIFFRACTION15chain 'D' and (resseq 35:67)D35 - 67
16X-RAY DIFFRACTION16chain 'D' and (resseq 68:148)D68 - 148
17X-RAY DIFFRACTION17chain 'D' and (resseq 149:181)D149 - 181
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)D182 - 209
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:14)E5 - 14
20X-RAY DIFFRACTION20chain 'E' and (resseq 15:27)E15 - 27
21X-RAY DIFFRACTION21chain 'E' and (resseq 28:50)E28 - 50
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:63)E51 - 63
23X-RAY DIFFRACTION23chain 'E' and (resseq 64:79)E64 - 79
24X-RAY DIFFRACTION24chain 'E' and (resseq 80:86)E80 - 86
25X-RAY DIFFRACTION25chain 'E' and (resseq 87:103)E87 - 103
26X-RAY DIFFRACTION26chain 'E' and (resseq 104:140)E104 - 140
27X-RAY DIFFRACTION27chain 'E' and (resseq 141:154)E141 - 154
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:32)F1 - 32
29X-RAY DIFFRACTION29chain 'F' and (resseq 33:92)F33 - 92
30X-RAY DIFFRACTION30chain 'F' and (resseq 93:101)F93 - 101
31X-RAY DIFFRACTION31chain 'G' and (resseq 2:11)G2 - 11
32X-RAY DIFFRACTION32chain 'G' and (resseq 12:20)G12 - 20
33X-RAY DIFFRACTION33chain 'G' and (resseq 21:52)G21 - 52
34X-RAY DIFFRACTION34chain 'G' and (resseq 53:57)G53 - 57
35X-RAY DIFFRACTION35chain 'G' and (resseq 58:79)G58 - 79
36X-RAY DIFFRACTION36chain 'G' and (resseq 80:92)G80 - 92
37X-RAY DIFFRACTION37chain 'G' and (resseq 93:109)G93 - 109
38X-RAY DIFFRACTION38chain 'G' and (resseq 110:129)G110 - 129
39X-RAY DIFFRACTION39chain 'G' and (resseq 130:144)G130 - 144
40X-RAY DIFFRACTION40chain 'G' and (resseq 145:156)G145 - 156
41X-RAY DIFFRACTION41chain 'H' and (resseq 1:18)H1 - 18
42X-RAY DIFFRACTION42chain 'H' and (resseq 19:29)H19 - 29
43X-RAY DIFFRACTION43chain 'H' and (resseq 30:41)H30 - 41
44X-RAY DIFFRACTION44chain 'H' and (resseq 42:53)H42 - 53
45X-RAY DIFFRACTION45chain 'H' and (resseq 54:62)H54 - 62
46X-RAY DIFFRACTION46chain 'H' and (resseq 63:72)H63 - 72
47X-RAY DIFFRACTION47chain 'H' and (resseq 73:85)H73 - 85
48X-RAY DIFFRACTION48chain 'H' and (resseq 86:95)H86 - 95
49X-RAY DIFFRACTION49chain 'H' and (resseq 96:100)H96 - 100
50X-RAY DIFFRACTION50chain 'H' and (resseq 101:106)H101 - 106
51X-RAY DIFFRACTION51chain 'H' and (resseq 107:116)H107 - 116
52X-RAY DIFFRACTION52chain 'H' and (resseq 117:127)H117 - 127
53X-RAY DIFFRACTION53chain 'H' and (resseq 128:138)H128 - 138
54X-RAY DIFFRACTION54chain 'I' and (resseq 2:25)I2 - 25
55X-RAY DIFFRACTION55chain 'I' and (resseq 26:32)I26 - 32
56X-RAY DIFFRACTION56chain 'I' and (resseq 33:53)I33 - 53
57X-RAY DIFFRACTION57chain 'I' and (resseq 54:88)I54 - 88
58X-RAY DIFFRACTION58chain 'I' and (resseq 89:97)I89 - 97
59X-RAY DIFFRACTION59chain 'I' and (resseq 98:117)I98 - 117
60X-RAY DIFFRACTION60chain 'I' and (resseq 118:128)I118 - 128
61X-RAY DIFFRACTION61chain 'J' and (resseq 3:29)J3 - 29
62X-RAY DIFFRACTION62chain 'J' and (resseq 30:42)J30 - 42
63X-RAY DIFFRACTION63chain 'J' and (resseq 43:47)J43 - 47
64X-RAY DIFFRACTION64chain 'J' and (resseq 48:70)J48 - 70
65X-RAY DIFFRACTION65chain 'J' and (resseq 71:78)J71 - 78
66X-RAY DIFFRACTION66chain 'J' and (resseq 79:85)J79 - 85
67X-RAY DIFFRACTION67chain 'J' and (resseq 86:93)J86 - 93
68X-RAY DIFFRACTION68chain 'J' and (resseq 94:100)J94 - 100
69X-RAY DIFFRACTION69chain 'K' and (resseq 11:34)K11 - 34
70X-RAY DIFFRACTION70chain 'K' and (resseq 35:57)K35 - 57
71X-RAY DIFFRACTION71chain 'K' and (resseq 58:75)K58 - 75
72X-RAY DIFFRACTION72chain 'K' and (resseq 76:100)K76 - 100
73X-RAY DIFFRACTION73chain 'K' and (resseq 101:110)K101 - 110
74X-RAY DIFFRACTION74chain 'K' and (resseq 111:126)K111 - 126
75X-RAY DIFFRACTION75chain 'L' and (resseq 5:32)L5 - 32
76X-RAY DIFFRACTION76chain 'L' and (resseq 33:128)L33 - 128
77X-RAY DIFFRACTION77chain 'M' and (resseq 2:14)M2 - 14
78X-RAY DIFFRACTION78chain 'M' and (resseq 15:21)M15 - 21
79X-RAY DIFFRACTION79chain 'M' and (resseq 22:61)M22 - 61
80X-RAY DIFFRACTION80chain 'M' and (resseq 62:83)M62 - 83
81X-RAY DIFFRACTION81chain 'M' and (resseq 84:93)M84 - 93
82X-RAY DIFFRACTION82chain 'M' and (resseq 94:119)M94 - 119
83X-RAY DIFFRACTION83chain 'N' and (resseq 2:11)N2 - 11
84X-RAY DIFFRACTION84chain 'N' and (resseq 12:16)N12 - 16
85X-RAY DIFFRACTION85chain 'N' and (resseq 17:24)N17 - 24
86X-RAY DIFFRACTION86chain 'N' and (resseq 25:29)N25 - 29
87X-RAY DIFFRACTION87chain 'N' and (resseq 30:61)N30 - 61
88X-RAY DIFFRACTION88chain 'O' and (resseq 2:15)O2 - 15
89X-RAY DIFFRACTION89chain 'O' and (resseq 16:49)O16 - 49
90X-RAY DIFFRACTION90chain 'O' and (resseq 50:73)O50 - 73
91X-RAY DIFFRACTION91chain 'O' and (resseq 74:88)O74 - 88
92X-RAY DIFFRACTION92chain 'P' and (resseq 1:19)P1 - 19
93X-RAY DIFFRACTION93chain 'P' and (resseq 20:43)P20 - 43
94X-RAY DIFFRACTION94chain 'P' and (resseq 44:52)P44 - 52
95X-RAY DIFFRACTION95chain 'P' and (resseq 53:62)P53 - 62
96X-RAY DIFFRACTION96chain 'P' and (resseq 63:83)P63 - 83
97X-RAY DIFFRACTION97chain 'Q' and (resseq 2:17)Q2 - 17
98X-RAY DIFFRACTION98chain 'Q' and (resseq 18:82)Q18 - 82
99X-RAY DIFFRACTION99chain 'Q' and (resseq 83:100)Q83 - 100
100X-RAY DIFFRACTION100chain 'R' and (resseq 19:23)R19 - 23
101X-RAY DIFFRACTION101chain 'R' and (resseq 24:28)R24 - 28
102X-RAY DIFFRACTION102chain 'R' and (resseq 29:36)R29 - 36
103X-RAY DIFFRACTION103chain 'R' and (resseq 37:43)R37 - 43
104X-RAY DIFFRACTION104chain 'R' and (resseq 44:52)R44 - 52
105X-RAY DIFFRACTION105chain 'R' and (resseq 53:76)R53 - 76
106X-RAY DIFFRACTION106chain 'R' and (resseq 77:88)R77 - 88
107X-RAY DIFFRACTION107chain 'S' and (resseq 2:12)S2 - 12
108X-RAY DIFFRACTION108chain 'S' and (resseq 13:25)S13 - 25
109X-RAY DIFFRACTION109chain 'S' and (resseq 26:35)S26 - 35
110X-RAY DIFFRACTION110chain 'S' and (resseq 36:40)S36 - 40
111X-RAY DIFFRACTION111chain 'S' and (resseq 41:70)S41 - 70
112X-RAY DIFFRACTION112chain 'S' and (resseq 71:81)S71 - 81
113X-RAY DIFFRACTION113chain 'T' and (resseq 8:66)T8 - 66
114X-RAY DIFFRACTION114chain 'T' and (resseq 67:75)T67 - 75
115X-RAY DIFFRACTION115chain 'T' and (resseq 76:91)T76 - 91
116X-RAY DIFFRACTION116chain 'T' and (resseq 92:106)T92 - 106
117X-RAY DIFFRACTION117chain 'U' and (resseq 2:8)U2 - 8
118X-RAY DIFFRACTION118chain 'U' and (resseq 9:15)U9 - 15
119X-RAY DIFFRACTION119chain 'U' and (resseq 16:25)U16 - 25
120X-RAY DIFFRACTION120chain 'V' and (resseq 1:4)V1 - 4
121X-RAY DIFFRACTION121chain 'W' and (resseq 32:40)W32 - 40
122X-RAY DIFFRACTION122chain 'a' and (resseq 31:41)a31 - 41
123X-RAY DIFFRACTION123chain 'b' and (resseq 1:2)b1 - 2

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