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- PDB-4dr4: Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal... -

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Basic information

Entry
Database: PDB / ID: 4dr4
TitleCrystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, cognate transfer RNA anticodon stem-loop and multiple copies of paromomycin molecules bound
Components
  • (30S ribosomal protein ...) x 20
  • 16S rRNA
  • 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'
  • 5'-R(*UP*UP*U)-3'
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 / ribonucleoprotein complex / translation / mRNA binding ...ribosomal small subunit assembly / small ribosomal subunit / cytosolic small ribosomal subunit / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / 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. / KH domain / Type-2 KH domain profile. / K Homology domain, type 2 / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / 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 S5, N-terminal, conserved site
Similarity search - Domain/homology
PAROMOMYCIN / : / 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 ...PAROMOMYCIN / : / 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: 3.969 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*U)-3'
W: 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)809,514400
Polymers789,62523
Non-polymers19,889377
Water8,971498
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)400.951, 400.951, 176.675
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 , 3 types, 3 molecules AVW

#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*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
#23: RNA chain 5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*C)-3'


Mass: 4815.937 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ASL (Phenylalanine) / 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


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, 875 molecules

#24: Chemical
ChemComp-PAR / PAROMOMYCIN / PAROMOMYCIN I, AMMINOSIDIN, CATENULIN, CRESTOMYCIN, MONOMYCIN A, NEOMYCIN E


Mass: 615.628 Da / Num. of mol.: 18 / Source method: obtained synthetically / Formula: C23H45N5O14 / Comment: Antimicrobial, medication*YM
#25: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 357 / Source method: obtained synthetically / Formula: Mg
#26: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 498 / 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: 4.5 Å3/Da / Density % sol: 72.64 %
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: Dec 3, 2008
RadiationMonochromator: Kohzu HLD8-24 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionRedundancy: 7.3 % / Av σ(I) over netI: 10.62 / Number: 901205 / Rmerge(I) obs: 0.253 / Χ2: 1.05 / D res high: 3.97 Å / D res low: 50 Å / Num. obs: 123861 / % possible obs: 100
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
10.745099.810.041.0597.1
8.5410.7410010.0831.0357.1
7.468.5410010.1241.0777.2
6.787.4610010.1641.0727.3
6.36.7810010.2191.0897.4
5.936.310010.2481.0687.4
5.635.9310010.2611.0337.4
5.395.6310010.2741.0287.4
5.185.3910010.3161.0297.5
55.1810010.341.0327.5
4.84510010.3671.0357.5
4.714.8410010.4231.0497.5
4.584.7110010.4641.057.5
4.474.5810010.5111.0547.4
4.374.4710010.5771.0267.4
4.284.3710010.6541.0377.3
4.194.2810010.7411.0427.2
4.114.1910010.8261.0457
4.044.1110010.9171.0286.9
3.974.0410010.9921.0216.7
ReflectionResolution: 3.969→50 Å / Num. all: 123861 / Num. obs: 123861 / % possible obs: 100 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 7.3 % / Rmerge(I) obs: 0.253 / Χ2: 1.046 / Net I/σ(I): 3.9
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.969-4.046.70.99261021.0211100
4.04-4.116.90.91761351.0281100
4.11-4.1970.82661121.0451100
4.19-4.287.20.74161121.0421100
4.28-4.377.30.65461341.0371100
4.37-4.477.40.57761161.0261100
4.47-4.587.40.51161251.0541100
4.58-4.717.50.46461551.051100
4.71-4.847.50.42361471.0491100
4.84-57.50.36761451.0351100
5-5.187.50.3461631.0321100
5.18-5.397.50.31661641.0291100
5.39-5.637.40.27461641.0281100
5.63-5.937.40.26162091.0331100
5.93-6.37.40.24861971.0681100
6.3-6.787.40.21962171.0891100
6.78-7.467.30.16462391.0721100
7.46-8.547.20.12462821.0771100
8.54-10.747.10.08363391.0351100
10.74-507.10.0466041.059199.8

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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: 3.969→49.732 Å / Occupancy max: 1 / Occupancy min: 0.37 / FOM work R set: 0.8763 / SU ML: 0.4 / σ(F): 1.34 / Phase error: 19.25 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2124 6187 5 %FROM PDB ENTRY 2VQE
Rwork0.1531 ---
obs0.1561 123736 99.94 %-
all-123736 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 34.759 Å2 / ksol: 0.247 e/Å3
Displacement parametersBiso max: 523.53 Å2 / Biso mean: 101.1617 Å2 / Biso min: 0 Å2
Baniso -1Baniso -2Baniso -3
1--12.2147 Å2-0 Å20 Å2
2---12.2147 Å20 Å2
3---2.7328 Å2
Refinement stepCycle: LAST / Resolution: 3.969→49.732 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19152 32880 1115 498 53645
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01357582
X-RAY DIFFRACTIONf_angle_d1.52785403
X-RAY DIFFRACTIONf_chiral_restr0.08310823
X-RAY DIFFRACTIONf_plane_restr0.0084917
X-RAY DIFFRACTIONf_dihedral_angle_d26.09827930
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 (%)
3.969-4.01440.30262210.224538674088100
4.0144-4.06160.30672260.214238254051100
4.0616-4.11110.26912150.205338624077100
4.1111-4.16320.24141870.18238664053100
4.1632-4.21790.25092010.173539134114100
4.2179-4.27570.2482020.167838654067100
4.2757-4.33670.25222130.172938874100100
4.3367-4.40140.23642270.174438524079100
4.4014-4.47010.2352120.15138554067100
4.4701-4.54340.22152130.157538954108100
4.5434-4.62170.2231910.148238884079100
4.6217-4.70560.18441850.14238924077100
4.7056-4.79610.22311930.140139104103100
4.7961-4.89390.22011920.138839154107100
4.8939-5.00020.19512190.126538684087100
5.0002-5.11640.18651920.127639084100100
5.1164-5.24420.18942020.123939144116100
5.2442-5.38590.17241990.116139114110100
5.3859-5.54410.18592110.109439244135100
5.5441-5.72280.17462090.111438914100100
5.7228-5.92710.19031950.115539364131100
5.9271-6.1640.19071970.116639304127100
6.164-6.44390.16731920.116939474139100
6.4439-6.78290.19692190.118639264145100
6.7829-7.20670.17772010.110939384139100
7.2067-7.76120.16432020.117839864188100
7.7612-8.53870.18482090.130139764185100
8.5387-9.76610.2052300.146139884218100
9.7661-12.27360.19832040.16214023422799
12.2736-49.73570.25542280.25944191441999
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)
10.26440.0648-0.10830.1787-0.00140.09510.03620.05820.03910.09210.04920.05840.08740.0417-00.51340.0310.04170.4824-0.00990.4948144.114983.887-12.2861
20.2398-0.0750.03340.03230.0950.02350.0846-0.18880.16-0.01850.00970.05710.00070.06940.01670.3617-0.17060.10230.812-0.29450.5125222.7266129.68929.2771
30.64290.156-0.29730.0778-0.29930.1213-0.14-0.019-0.1395-0.10660.1281-0.19050.17020.12340.00030.74170.0556-0.0060.6278-0.10860.6291165.329671.726-25.402
40.04750.020.00460.00930.00160.0003-0.0373-0.02040.0781-0.34230.02810.2870.011-0.18410.00020.94670.1010.12260.61630.06751.3533152.3059157.0503-31.1928
50.0040.00220.00620.0067-0.00230.00320.12570.12140.0661-0.1096-0.0063-0.1397-0.13260.04820.00010.8079-0.13410.39050.559-0.29061.2242167.5622160.3175-16.2602
60.0021-0.00330.00210.0088-0.00460.00290.0026-0.0192-0.05510.11110.24620.079-0.17390.19130.00110.7199-0.25980.1971.0865-0.46111.0573185.7875161.0127-4.029
70.07220.05010.03140.0731-0.02960.0879-0.0073-0.02630.2063-0.18690.04520.0905-0.15960.00970.08360.94260.02320.38370.2744-0.14381.3113160.8007159.5185-19.7171
80.1298-0.0307-0.03720.00940.02280.0226-0.010.1483-0.02080.1218-0.02480.0476-0.0573-0.0791-0.150.8637-0.15910.18331.2509-0.65160.5579205.405142.419433.1392
90.01970.01140.01690.00710.01280.0207-0.1198-0.0286-0.10160.0473-0.03690.11240.0778-0.0706-0.16750.2270.05260.15110.7946-0.46480.6971185.008133.16421.8768
100.03610.04460.02780.05570.03970.14880.1906-0.16280.28310.0939-0.0055-0.08270.3401-0.26590.00750.9845-0.30720.2861.351-0.57411.1424193.0746134.373715.131
110.0102-0.0029-0.03390.00130.0140.1169-0.0420.00040.02490.0016-0.01630.00090.0023-0.0172-0.17430.2966-0.2468-0.15750.23980.0310.1142157.3712105.688334.3969
120.0428-0.0175-0.00260.0351-0.00690.02460.02340.0408-0.0316-0.0640.0046-0.02540.06140.0682-0.010.51020.08630.03430.1819-0.1570.1811154.6496115.157940.0762
13-0.00050.00130.00130.0254-0.00320.0073-0.11150.01450.0520.11360.102-0.0373-0.04230.01330.00051.10420.01840.11910.8178-0.22330.6466168.5056115.441628.6687
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1000.0169-0.0176-0.00140.020.0010.00910.0068-0.00060.04220.05960.0597-0.1581-0.0923-0.02480.00130.7609-0.08190.17921.37640.03771.1959182.7926130.9444-63.8718
1010.0188-0.0153-0.01050.0315-0.00320.0130.07260.0596-0.02430.19850.1514-0.1116-0.0661-0.1283-0.00030.80060.09620.15951.08240.08480.6912182.7454124.8359-70.4971
1020.0035-0.0059-0.0010.01870.00630.0022-0.040.0071-0.1736-0.04080.04690.04110.08810.0557-0.00020.88640.0486-0.13611.1196-0.10351.1006251.9016113.490827.4211
1030.00280.0016-0.00380.0024-0.00180.00520.0003-0.0207-0.02150.0187-0.0181-0.0032-0.04350.027-0.00031.36430.1897-0.04121.7995-0.0171.0041250.8084100.458942.3201
1040.0024-0.0035-0.00240.00440.00360.00240.0091-0.005-0.0022-0.01320.0343-0.01970.01150.00980.00011.49970.04850.12491.41330.05661.7144251.945988.96140.4484
1050.07630.00390.05110.03850.01290.04230.0015-0.0284-0.10020.00070.0205-0.0598-0.04130.0566-0.01820.7019-0.1095-0.41021.3649-0.17360.7497248.8821100.665232.8863
1060.0090.00190.01240.00840.00890.0217-0.1432-0.1355-0.01620.1815-0.1376-0.05010.02330.11940.00031.0048-0.0276-0.18081.17890.04480.8365245.303396.842624.4855
1070.0133-0.00310.0227-0.0083-0.00480.016-0.18480.13130.0148-0.16480.0342-0.00280.1518-0.056-0.00041.0129-0.2090.07210.63420.1290.657113.331142.1714-14.2617
1080.02320.0163-0.0090.0126-0.00840.00490.1449-0.274-0.15340.1002-0.12430.2124-0.04920.1713-0.00010.9702-0.00590.02220.66890.32510.743398.006343.7127-27.625
1090.00330.0023-0.00160.01070.00070.0026-0.0236-0.0525-0.0327-0.0090-0.01210.03170.049100.8307-0.209-0.12080.72170.07320.7458106.947453.063-14.7618
1100.0261-0.0594-0.06620.13730.14980.1702-0.11150.08860.0484-0.0672-0.2962-0.0393-0.1326-0.0377-0.02180.9113-0.3435-0.12380.83630.31980.880298.806251.2-33.8297
1110.00470.00280.00470.0055-0.00110.01090.0002-0.00180.00120.01250.05520.00430.01970.0214-00.80730.0126-0.141.2041-0.27391.1716251.6042124.31182.2472
1120.0056-0.0013-0.00410.0035-0.0030.0062-0.0164-0.06930.03970.0187-0.0045-0.0001-0.00520.0693-01.3551-0.18480.0051.4471-0.48081.3693251.4003131.687.2625
1130.00050.0057-0.00430.1101-0.08560.0670.0256-0.0355-0.0087-0.0080.0035-0.03050.06350.0804-0.00330.9172-0.4772-0.14021.6843-0.29460.8892195.313798.84-3.4411
1140.0304-0.01450.00260.0097-0.00630.00460.03040.06520.07880.1097-0.3524-0.04980.17470.1731-0.0041.2270.2147-0.1852.2147-0.37441.2999206.49893.25556.5706
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 6:63)B6 - 63
5X-RAY DIFFRACTION5chain 'B' and (resseq 64:104)B64 - 104
6X-RAY DIFFRACTION6chain 'B' and (resseq 105:148)B105 - 148
7X-RAY DIFFRACTION7chain 'B' and (resseq 149:241)B149 - 241
8X-RAY DIFFRACTION8chain 'C' and (resseq 2:112)C2 - 112
9X-RAY DIFFRACTION9chain 'C' and (resseq 113:143)C113 - 143
10X-RAY DIFFRACTION10chain 'C' and (resseq 144:208)C144 - 208
11X-RAY DIFFRACTION11chain 'D' and (resseq 2:14)D2 - 14
12X-RAY DIFFRACTION12chain 'D' and (resseq 15:34)D15 - 34
13X-RAY DIFFRACTION13chain 'D' and (resseq 35:52)D35 - 52
14X-RAY DIFFRACTION14chain 'D' and (resseq 53:99)D53 - 99
15X-RAY DIFFRACTION15chain 'D' and (resseq 100:148)D100 - 148
16X-RAY DIFFRACTION16chain 'D' and (resseq 149:164)D149 - 164
17X-RAY DIFFRACTION17chain 'D' and (resseq 165:181)D165 - 181
18X-RAY DIFFRACTION18chain 'D' and (resseq 182:209)D182 - 209
19X-RAY DIFFRACTION19chain 'E' and (resseq 5:20)E5 - 20
20X-RAY DIFFRACTION20chain 'E' and (resseq 21:35)E21 - 35
21X-RAY DIFFRACTION21chain 'E' and (resseq 36:50)E36 - 50
22X-RAY DIFFRACTION22chain 'E' and (resseq 51:64)E51 - 64
23X-RAY DIFFRACTION23chain 'E' and (resseq 65:79)E65 - 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 141:155)E141 - 155
28X-RAY DIFFRACTION28chain 'F' and (resseq 1:15)F1 - 15
29X-RAY DIFFRACTION29chain 'F' and (resseq 16:32)F16 - 32
30X-RAY DIFFRACTION30chain 'F' and (resseq 33:42)F33 - 42
31X-RAY DIFFRACTION31chain 'F' and (resseq 43:47)F43 - 47
32X-RAY DIFFRACTION32chain 'F' and (resseq 48:68)F48 - 68
33X-RAY DIFFRACTION33chain 'F' and (resseq 69:81)F69 - 81
34X-RAY DIFFRACTION34chain 'F' and (resseq 82:92)F82 - 92
35X-RAY DIFFRACTION35chain 'F' and (resseq 93:101)F93 - 101
36X-RAY DIFFRACTION36chain 'G' and (resseq 2:11)G2 - 11
37X-RAY DIFFRACTION37chain 'G' and (resseq 12:128)G12 - 128
38X-RAY DIFFRACTION38chain 'G' and (resseq 129:156)G129 - 156
39X-RAY DIFFRACTION39chain 'H' and (resseq 1:18)H1 - 18
40X-RAY DIFFRACTION40chain 'H' and (resseq 19:29)H19 - 29
41X-RAY DIFFRACTION41chain 'H' and (resseq 30:41)H30 - 41
42X-RAY DIFFRACTION42chain 'H' and (resseq 42:62)H42 - 62
43X-RAY DIFFRACTION43chain 'H' and (resseq 63:72)H63 - 72
44X-RAY DIFFRACTION44chain 'H' and (resseq 73:85)H73 - 85
45X-RAY DIFFRACTION45chain 'H' and (resseq 86:95)H86 - 95
46X-RAY DIFFRACTION46chain 'H' and (resseq 96:114)H96 - 114
47X-RAY DIFFRACTION47chain 'H' and (resseq 115:138)H115 - 138
48X-RAY DIFFRACTION48chain 'I' and (resseq 2:21)I2 - 21
49X-RAY DIFFRACTION49chain 'I' and (resseq 22:32)I22 - 32
50X-RAY DIFFRACTION50chain 'I' and (resseq 33:40)I33 - 40
51X-RAY DIFFRACTION51chain 'I' and (resseq 41:69)I41 - 69
52X-RAY DIFFRACTION52chain 'I' and (resseq 70:88)I70 - 88
53X-RAY DIFFRACTION53chain 'I' and (resseq 89:119)I89 - 119
54X-RAY DIFFRACTION54chain 'I' and (resseq 120:128)I120 - 128
55X-RAY DIFFRACTION55chain 'J' and (resseq 3:10)J3 - 10
56X-RAY DIFFRACTION56chain 'J' and (resseq 11:28)J11 - 28
57X-RAY DIFFRACTION57chain 'J' and (resseq 29:80)J29 - 80
58X-RAY DIFFRACTION58chain 'J' and (resseq 81:93)J81 - 93
59X-RAY DIFFRACTION59chain 'J' and (resseq 94:101)J94 - 101
60X-RAY DIFFRACTION60chain 'K' and (resseq 11:34)K11 - 34
61X-RAY DIFFRACTION61chain 'K' and (resseq 35:99)K35 - 99
62X-RAY DIFFRACTION62chain 'K' and (resseq 100:110)K100 - 110
63X-RAY DIFFRACTION63chain 'K' and (resseq 111:120)K111 - 120
64X-RAY DIFFRACTION64chain 'K' and (resseq 121:129)K121 - 129
65X-RAY DIFFRACTION65chain 'L' and (resseq 5:12)L5 - 12
66X-RAY DIFFRACTION66chain 'L' and (resseq 13:22)L13 - 22
67X-RAY DIFFRACTION67chain 'L' and (resseq 23:31)L23 - 31
68X-RAY DIFFRACTION68chain 'L' and (resseq 32:122)L32 - 122
69X-RAY DIFFRACTION69chain 'L' and (resseq 123:129)L123 - 129
70X-RAY DIFFRACTION70chain 'M' and (resseq 2:14)M2 - 14
71X-RAY DIFFRACTION71chain 'M' and (resseq 15:49)M15 - 49
72X-RAY DIFFRACTION72chain 'M' and (resseq 50:61)M50 - 61
73X-RAY DIFFRACTION73chain 'M' and (resseq 62:66)M62 - 66
74X-RAY DIFFRACTION74chain 'M' and (resseq 67:83)M67 - 83
75X-RAY DIFFRACTION75chain 'M' and (resseq 84:93)M84 - 93
76X-RAY DIFFRACTION76chain 'M' and (resseq 94:119)M94 - 119
77X-RAY DIFFRACTION77chain 'N' and (resseq 2:9)N2 - 9
78X-RAY DIFFRACTION78chain 'N' and (resseq 10:14)N10 - 14
79X-RAY DIFFRACTION79chain 'N' and (resseq 15:19)N15 - 19
80X-RAY DIFFRACTION80chain 'N' and (resseq 20:24)N20 - 24
81X-RAY DIFFRACTION81chain 'N' and (resseq 25:29)N25 - 29
82X-RAY DIFFRACTION82chain 'N' and (resseq 30:50)N30 - 50
83X-RAY DIFFRACTION83chain 'N' and (resseq 51:61)N51 - 61
84X-RAY DIFFRACTION84chain 'O' and (resseq 2:15)O2 - 15
85X-RAY DIFFRACTION85chain 'O' and (resseq 16:44)O16 - 44
86X-RAY DIFFRACTION86chain 'O' and (resseq 45:73)O45 - 73
87X-RAY DIFFRACTION87chain 'O' and (resseq 74:89)O74 - 89
88X-RAY DIFFRACTION88chain 'P' and (resseq 1:39)P1 - 39
89X-RAY DIFFRACTION89chain 'P' and (resseq 40:48)P40 - 48
90X-RAY DIFFRACTION90chain 'P' and (resseq 49:61)P49 - 61
91X-RAY DIFFRACTION91chain 'P' and (resseq 62:84)P62 - 84
92X-RAY DIFFRACTION92chain 'Q' and (resseq 2:12)Q2 - 12
93X-RAY DIFFRACTION93chain 'Q' and (resseq 13:28)Q13 - 28
94X-RAY DIFFRACTION94chain 'Q' and (resseq 29:45)Q29 - 45
95X-RAY DIFFRACTION95chain 'Q' and (resseq 46:81)Q46 - 81
96X-RAY DIFFRACTION96chain 'Q' and (resseq 82:97)Q82 - 97
97X-RAY DIFFRACTION97chain 'Q' and (resseq 98:101)Q98 - 101
98X-RAY DIFFRACTION98chain 'R' and (resseq 16:20)R16 - 20
99X-RAY DIFFRACTION99chain 'R' and (resseq 21:43)R21 - 43
100X-RAY DIFFRACTION100chain 'R' and (resseq 44:59)R44 - 59
101X-RAY DIFFRACTION101chain 'R' and (resseq 60:88)R60 - 88
102X-RAY DIFFRACTION102chain 'S' and (resseq 2:12)S2 - 12
103X-RAY DIFFRACTION103chain 'S' and (resseq 13:25)S13 - 25
104X-RAY DIFFRACTION104chain 'S' and (resseq 26:30)S26 - 30
105X-RAY DIFFRACTION105chain 'S' and (resseq 31:47)S31 - 47
106X-RAY DIFFRACTION106chain 'S' and (resseq 48:82)S48 - 82
107X-RAY DIFFRACTION107chain 'T' and (resseq 8:45)T8 - 45
108X-RAY DIFFRACTION108chain 'T' and (resseq 46:68)T46 - 68
109X-RAY DIFFRACTION109chain 'T' and (resseq 69:75)T69 - 75
110X-RAY DIFFRACTION110chain 'T' and (resseq 76:106)T76 - 106
111X-RAY DIFFRACTION111chain 'U' and (resseq 2:8)U2 - 8
112X-RAY DIFFRACTION112chain 'U' and (resseq 9:26)U9 - 26
113X-RAY DIFFRACTION113chain 'V' and (resseq 1:3)V1 - 3
114X-RAY DIFFRACTION114chain 'W' and (resseq 28:42)W28 - 42

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