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- PDB-4dv1: Crystal structure of the Thermus thermophilus 30S ribosomal subun... -

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Basic information

Entry
Database: PDB / ID: 4dv1
TitleCrystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, U20G, 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


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 S13, 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: 3.849 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

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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)790,690271
Polymers783,97521
Non-polymers6,716250
Water7,386410
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)403.455, 403.455, 173.407
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: 494209.812 Da / Num. of mol.: 1 / Mutation: U20G / 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 / 40S 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 / 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, 660 molecules

#22: 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
#23: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 247 / 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 / Water


Mass: 18.015 Da / Num. of mol.: 410 / 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: 72.67 %
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: 3.849→35 Å / Num. all: 131031 / Num. obs: 131031 / % possible obs: 97.3 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3 % / Rmerge(I) obs: 0.075 / Χ2: 1.055 / Net I/σ(I): 11.8
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.849-3.9930.724131301.13199
3.99-4.1530.522131781.031198.8
4.15-4.3430.357131761.096198.6
4.34-4.5630.245131051.069198.4
4.56-4.8530.168131091.072198.2
4.85-5.2230.119131471.012198
5.22-5.7530.09131041.027197.6
5.75-6.5730.084131291.039197.2
6.57-8.2630.065131091.01196.2
8.26-352.90.032128441.064191.5

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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: 3.849→34.93 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8636 / SU ML: 0.33 / σ(F): 1.33 / Phase error: 20.6 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2116 6511 4.97 %FROM PDB ENTRY 2VQE
Rwork0.1501 ---
obs0.1531 130989 97.29 %-
all-130989 --
Solvent computationShrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 138.113 Å2 / ksol: 0.251 e/Å3
Displacement parametersBiso max: 550 Å2 / Biso mean: 198.9657 Å2 / Biso min: 50.61 Å2
Baniso -1Baniso -2Baniso -3
1--13.4379 Å2-0 Å20 Å2
2---13.4379 Å20 Å2
3---16.5628 Å2
Refinement stepCycle: LAST / Resolution: 3.849→34.93 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32510 289 410 52297
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01256239
X-RAY DIFFRACTIONf_angle_d1.5283531
X-RAY DIFFRACTIONf_chiral_restr0.08610400
X-RAY DIFFRACTIONf_plane_restr0.0094882
X-RAY DIFFRACTIONf_dihedral_angle_d19.86726010
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 (%)
3.849-3.89280.30792150.26814119433498
3.8928-3.93860.31792140.26884184439899
3.9386-3.98650.34832150.25874148436399
3.9865-4.03690.32712390.24764177441699
4.0369-4.090.30232370.23344111434899
4.09-4.14590.28972250.22154168439399
4.1459-4.2050.28542150.20734147436299
4.205-4.26770.26581800.19044220440099
4.2677-4.33430.25392470.18314170441798
4.3343-4.40520.21722210.16764121434299
4.4052-4.4810.24272470.1654156440398
4.481-4.56230.20832200.16744146436698
4.5623-4.64990.22152120.15354149436198
4.6499-4.74450.21541910.15184170436198
4.7445-4.84740.22982070.14194197440498
4.8474-4.95990.18332330.13084151438498
4.9599-5.08360.19052210.12564150437198
5.0836-5.22060.19061950.12084191438698
5.2206-5.37370.17952080.11684156436498
5.3737-5.54650.17332240.11484140436498
5.5465-5.74390.20092170.11564162437998
5.7439-5.97280.17692050.11634189439497
5.9728-6.24310.18522050.1184151435697
6.2431-6.57020.17912060.12094180438697
6.5702-6.97880.192120.1144155436797
6.9788-7.51270.18242360.11494138437496
7.5127-8.25970.18641950.11794172436796
8.2597-9.43420.17092370.12094031426894
9.4342-11.80930.17552130.12454163437694
11.8093-34.93120.25112190.20673966418587
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)
10.72630.0639-0.2020.9981-0.11360.7448-0.0492-0.1186-0.20940.23640.11210.30530.27060.0515-0.0581.06560.19790.13480.9899-0.01521.3413143.409783.1345-12.8303
23.1977-0.4810.80431.0070.14890.35390.0745-1.58190.41480.52420.2169-0.5337-0.0574-0.025-0.2851.5496-0.22820.02342.6848-0.85772.1542222.6188128.91149.6687
31.55050.0121-0.59290.2247-0.18420.5995-0.1636-0.3373-0.6201-0.11540.183-0.64780.38820.3267-0.02141.64770.2577-0.02411.6341-0.04241.7347165.349470.6576-26.0479
43.33280.95772.12636.0981-3.53984.314-1.58290.8754-0.6232-0.81440.5026-1.80950.57480.93711.12572.2380.14130.87582.070.72371.9571156.4565157.8027-34.5689
56.183-2.12833.08126.6033-5.30514.6039-0.92840.6541-0.0364-1.6054-1.4086-1.130.46140.16832.30352.89850.26380.36641.52920.10292.5111152.6533150.5766-37.3925
64.30983.8474.80697.87553.58515.47280.0186-1.39580.1007-0.176-0.18591.24550.7899-2.51590.18872.3044-0.42080.7842.3486-0.12872.5643148.0704159.7887-20.6998
73.5837-3.7016-3.5793.83293.72323.63721.3327-0.47021.1175-0.8741-1.1713-0.7017-2.35411.4676-0.10772.1997-0.28190.52882.3170.08582.2299165.1145162.8218-17.2116
88.67673.65554.85326.0026-1.96746.4760.0633-1.50461.3461-0.4080.8869-1.074-2.43911.1541-1.02391.6168-0.12790.6491.8122-0.88312.0338174.5183156.3141-6.2884
95.25470.3104-0.26326.4675-3.95542.4182-0.1357-0.24950.39821.68782.1675-3.23660.17713.2448-2.06012.2-0.22230.19963.3076-1.67942.945189.7667161.6163-4.1244
104.01453.52114.19197.81832.52544.64860.3440.030.35340.11991.1007-0.2748-2.37810.9681-1.38681.4136-0.02120.56031.2786-0.3782.8604165.0162155.9141-12.421
116.6244-5.06840.15175.5806-0.32242.0454-0.479-0.11150.3335-2.04520.6118-1.30660.57120.7878-0.1112.4019-0.13760.77521.0978-0.32772.3398158.5085149.8784-20.5483
124.4777-0.25876.0687.4923-0.17469.743-0.47770.89441.2194-0.48790.3129-1.9392-2.83020.67090.012.2604-0.20061.00181.1946-0.20343.1071157.8606167.7322-21.1569
131.0617-0.2307-0.20130.04830.04260.0341-0.8940.3180.7278-0.61120.69390.2417-0.7545-0.02190.22346.2055-0.33691.11931.7208-0.11034.6793163.0682174.4788-23.0269
140.1129-0.11270.05760.099-0.04370.0223-0.1051-0.47340.5396-0.1426-0.57830.6682-0.2037-0.80780.44982.1479-0.4030.17465.043-1.86732.4054209.3737138.128727.91
152.6272-4.22182.29739.6148-5.72115.426-2.2009-1.84753.90830.6018-1.3799-0.4811-0.96440.19853.43862.0321-0.1934-0.53984.7459-0.96962.8844208.1245144.027535.5278
161.82830.0481.56361.1473-0.87685.205-0.1626-0.11050.18680.94180.17260.8509-0.5438-3.05410.15023.54940.5828-0.10685.3518-0.25011.0902198.3053138.482545.2247
171.8324-0.99451.48761.242-1.16711.39510.0068-0.36440.2421-0.28070.46180.15470.4117-1.2385-0.22011.9687-0.3646-0.80754.2783-0.97092.082199.5465142.937136.4646
186.99921.073-1.51786.7944-1.72717.50090.573-2.03331.91711.25790.88280.41990.2032-0.296-1.35871.0994-0.13750.16933.5233-0.71961.812188.1138131.008217.5847
191.33170.60870.32273.8366-5.19239.8980.1986-1.27180.88970.04350.8575-0.56311.0988-0.6896-0.7731.4538-0.07940.39064.3049-1.28012.2376194.4145131.424620.0944
204.781.5961-3.60895.3935-2.51184.36060.0529-0.14190.35330.3507-1.26891.53440.2449-0.40420.97562.6141-1.6068-0.93912.94950.40392.4416155.1829104.888234.0336
211.7755-0.9283.57360.61-1.86137.1735-0.31930.3701-0.9847-0.3233-1.36360.70470.7716-0.38021.52222.65650.5420.40921.9256-0.52391.9491151.785114.661439.9332
227.564-3.4903-3.96887.1149-0.02562.7043-0.0789-1.97341.52720.4227-0.1678-0.9624-0.39651.4361-0.27562.51360.98350.09711.9646-0.43061.0073159.1188112.53525.6452
236.74150.40692.13286.1077-0.10850.67860.6336-0.3015-0.36321.2525-0.39380.2276-0.7792-1.0976-0.1992.09050.12790.40881.147-0.10181.0162134.3485104.825534.9186
249.0542-1.1052-4.03287.4772.54094.24790.01420.15840.78510.0125-0.731-0.7413-1.6177-0.2340.59751.38050.46390.19211.39090.51351.1872136.8286113.149627.0953
255.2647-5.67331.98466.2135-2.88176.69570.4675-2.39963.48021.3520.7598-2.2682-0.74580.8928-1.25461.31490.0328-0.13672.1277-0.98992.1795164.2478125.00077.1972
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1102.65630.7743-0.46563.9465-0.65527.45210.1315-0.9249-0.00510.41440.1026-0.11540.52660.1186-0.03881.97320.09331.06972.571-0.05451.1243178.11133.9579-60.6842
1113.4511-0.9548-3.36577.54520.26043.35081.4142-0.63530.90480.60420.42441.6228-0.1171-0.595-1.78281.3753-0.07350.22741.2240.10761.2814174.7696124.8159-69.2936
1129.16390.90845.25994.95652.45433.7838-0.2120.68440.2633-0.9665-0.0452-1.4679-0.12762.210.14341.7070.23490.49062.31080.39371.7754192.2477126.0166-71.9137
1136.915-2.6835-2.3767.6743-1.93922.7711-0.08090.4561-0.6703-1.5127-0.3961.52171.8442-2.03560.34812.62720.6269-1.13572.4371-1.38833.5441252.0835112.668527.9154
1145.02983.2822.16522.1841.24355.4642-0.025-1.709-0.34761.37940.93070.71420.1856-1.0206-0.77132.23730.4907-1.08884.28630.30332.6112249.495897.338837.9763
1152.7883.03281.74814.47453.71743.9019-0.1062-0.9981.64560.2754-0.3318-0.3339-0.1686-0.23720.44872.9011-1.9953-0.95115.13420.79944.4758256.9683101.343732.9504
1167.71645.5641-5.66045.788-3.24196.1881-0.55270.58950.08130.7699-0.5281-1.12690.68660.34671.06833.6130.9756-0.17393.135-0.18053.1072249.411693.522831.2478
1178.19484.9916.31813.32744.16265.212-0.3117-1.16590.3450.79111.3658-1.16550.5117-0.676-0.94922.12860.4791-0.22773.79670.11282.4916242.836391.314926.7177
1181.57890.34191.24160.08540.28031.6465-0.04890.3431-0.5922-0.3337-1.4432-1.6673-0.88291.01191.2632.45480.4316-0.84183.86190.46083.3346248.889697.412320.657
1194.69481.30227.29571.35361.87461.9976-0.24090.5739-0.4657-0.02660.63690.0965-0.04480.7589-0.31571.3784-0.21990.39231.26240.11021.6678112.970440.9192-16.1379
1207.44271.96570.83497.44152.53174.7790.7028-1.0616-0.10630.77980.01362.70080.5193-0.6681-0.65171.5366-0.11690.12610.63220.47422.0762100.020444.8145-25.5388
1219.797-0.57685.81247.44583.35155.2839-0.7194-0.8751.2288-0.7187-0.58780.11380.6288-0.52771.25321.0904-0.43860.12341.94240.78792.267499.269649.8666-35.606
1223.0478-1.3251.54710.7751-0.29131.50430.05630.1769-1.71890.5198-0.446-1.2107-0.15550.95980.28661.8297-0.80550.10852.0098-0.19034.397251.5863125.11092.4938
1237.8321-2.1517-3.37215.70320.71965.594-0.01830.32280.6405-3.29060.0550.049-2.175-0.54220.06722.91230.5861-0.54362.0252-1.38862.9354248.6525130.97863.8849
1242.99021.38252.70111.6125-0.59475.92950.1393-0.86540.69871.3814-0.3218-0.7171-0.81770.32990.19992.6339-1.3372-0.25034.2933-1.38613.1637253.2541132.02810.9774
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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