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- PDB-4lfa: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus -

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Basic information

Entry
Database: PDB / ID: 4lfa
TitleCrystal Structure of 30S ribosomal subunit from Thermus thermophilus
Components
  • (ribosomal protein ...) x 20
  • 16S rRNA
KeywordsRIBOSOME / 30S ribosomal subunit / Kasugamycin / KsgA / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding
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
HYGROMYCIN B / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 ...HYGROMYCIN B / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein uS12 / 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 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: 3.6461 Å
AuthorsDemirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
CitationJournal: to be published / Year: 2013
Title: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Authors: Demirci, H. / Belardinelli, R. / Carr, J. / Murphy IV, F. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
History
DepositionJun 26, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 2, 2014Provider: 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)787,658147
Polymers783,93721
Non-polymers3,722126
Water97354
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)402.314, 402.314, 175.651
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: 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

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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: A0A0M9AFS9*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
#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: A0A0N0BLP2*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: 12325.655 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus (bacteria) / Strain: HB8 / References: UniProt: Q5SHP7, UniProt: A0A0N0BLS5*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 , 5 types, 180 molecules

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


Mass: 24.305 Da / Num. of mol.: 118 / Source method: obtained synthetically / Formula: Mg
#23: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: K
#24: Chemical ChemComp-HYG / HYGROMYCIN B / HYGROMIX, ANTIHELMYCIN, HYDROMYCIN B, DESTOMYSIN, ANTIBIOTIC A-396-II / Hygromycin B


Mass: 527.520 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C20H37N3O13 / Comment: antibiotic*YM
#25: Chemical ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 54 / 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: 4.53 Å3/Da / Density % sol: 72.87 %
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
ReflectionRedundancy: 3.1 % / Av σ(I) over netI: 15.9 / Number: 482635 / Rmerge(I) obs: 0.063 / Χ2: 1.07 / D res high: 3.65 Å / D res low: 35 Å / Num. obs: 154622 / % possible obs: 97.6
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
7.843590.310.0280.9833.1
6.237.849610.0470.9923.1
5.456.2397.410.0551.0433.1
4.955.4598.110.0671.0763.1
4.64.9598.610.0941.1023.1
4.334.698.910.1391.0923.1
4.114.339910.2161.0953.1
3.934.1199.210.3241.0843.1
3.783.9399.310.4711.1063.1
3.653.7899.510.7081.0893.1
ReflectionResolution: 3.6461→35 Å / Num. all: 154622 / Num. obs: 154622 / % possible obs: 97.6 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 3.1 % / Rmerge(I) obs: 0.063 / Χ2: 1.067 / Net I/σ(I): 13.5
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.6461-3.783.10.708155511.089199.5
3.78-3.933.10.471155661.106199.3
3.93-4.113.10.324155671.084199.2
4.11-4.333.10.216155511.095199
4.33-4.63.10.139155891.092198.9
4.6-4.953.10.094155271.102198.6
4.95-5.453.10.067155151.076198.1
5.45-6.233.10.055154831.043197.4
6.23-7.843.10.047153800.992196
7.84-353.10.028148930.983190.3

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIXdev_1119refinement
PDB_EXTRACT3.11data extraction
HKL-2000data collection
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.6461→34.853 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8758 / SU ML: 0.37 / σ(F): 1.34 / Phase error: 19.5 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2043 7729 5 %FROM PDB ENTRY 2VQE
Rwork0.1535 ---
all0.1561 154605 --
obs0.1561 154605 97.09 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 413.89 Å2 / Biso mean: 142.3739 Å2 / Biso min: 31.78 Å2
Refinement stepCycle: LAST / Resolution: 3.6461→34.853 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19153 32504 161 54 51872
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0155939
X-RAY DIFFRACTIONf_angle_d1.53883094
X-RAY DIFFRACTIONf_chiral_restr0.07410406
X-RAY DIFFRACTIONf_plane_restr0.0074902
X-RAY DIFFRACTIONf_dihedral_angle_d18.19926110
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 (%)
3.6461-3.68750.31772500.2764078432883
3.6875-3.73080.2962740.26824945521999
3.7308-3.77620.32232860.250249095195100
3.7762-3.8240.28742140.23315029524399
3.824-3.87420.28072570.21934938519599
3.8742-3.92720.26522760.22134976525299
3.9272-3.98330.26962460.2064966521299
3.9833-4.04260.24852640.19934944520899
4.0426-4.10570.25322990.18794935523499
4.1057-4.17290.2192470.17134970521799
4.1729-4.24480.24472570.16634939519699
4.2448-4.32180.23072580.16214944520299
4.3218-4.40480.22022790.15314951523099
4.4048-4.49450.18322910.14574947523899
4.4945-4.5920.2052440.13334940518499
4.592-4.69860.1862440.13114948519299
4.6986-4.81580.18712370.12774984522199
4.8158-4.94570.17922700.12334945521599
4.9457-5.09080.17032630.11744947521098
5.0908-5.25450.15432360.11364945518198
5.2545-5.44170.18472520.11554964521698
5.4417-5.65870.18392660.11814951521798
5.6587-5.9150.17132490.11744919516897
5.915-6.22520.17482430.11874941518497
6.2252-6.61280.16892480.11984900514897
6.6128-7.11930.18512520.12474911516396
7.1193-7.82840.18252500.12624904515496
7.8284-8.94450.17692660.13214839510594
8.9445-11.20660.18392620.15314853511594
11.2066-34.85440.23842490.2124514476384
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)
10.33280.0986-0.13190.6594-0.06490.5749-0.0708-0.0623-0.10040.20960.14870.18260.23110.0832-0.0720.83980.24340.18810.78730.01461.0876143.95483.5822-12.3481
22.3558-0.53120.28480.6596-0.00910.2498-0.1624-1.33890.43240.46250.2774-0.2619-0.21760.035-0.0811.2611-0.08490.11452.202-0.80421.4427223.2196129.48269.7689
33.17472.0595-0.64541.3972-0.41110.176-0.1854-0.3035-0.944-0.09580.1075-0.70040.28630.14140.06031.16180.2560.1261.1335-0.02951.3778164.026169.3585-25.0889
44.6196-0.5757-5.90462.74912.6619.42230.1965-0.3181-0.1014-0.530.1355-1.3697-0.29451.5891-0.31811.77670.11870.09214.28880.33682.2801204.186111.5285-33.6671
53.42912.8828-0.45598.5534-4.60692.9703-0.65670.5573-0.197-1.42410.0484-1.82830.66280.5240.46061.5686-0.19920.42850.47780.2691.1871157.2622155.866-35.577
64.40520.11762.21886.49681.68041.50591.0711-0.49431.0318-0.7502-0.79030.3103-0.082-0.3204-0.23291.4357-0.22770.68330.96520.221.8442150.5974156.0877-27.3291
76.1768-0.77471.38716.9518-0.17255.89140.58550.20421.0038-0.662-0.6128-1.259-0.98962.1123-0.07761.0599-0.08370.63141.6049-0.15761.5606167.515162.4557-18.876
84.83840.23281.31931.0082-0.49543.45690.3859-0.43470.69750.43710.13020.2742-1.33560.4341-0.5251.0046-0.05540.5851.0936-0.46631.5761174.6111157.4469-6.7351
94.0065-2.4213-0.24693.43171.07696.73150.0685-0.24881.30241.25431.4318-1.92-0.58281.7691-1.41872.2957-0.7670.36072.4074-0.80191.723191.0066162.0163-4.4242
102.2626-1.10380.77035.51430.21162.7818-0.05360.1464-0.0273-0.85010.6963-0.4835-0.40240.3247-0.40141.3512-0.02070.75540.3305-0.30711.5002160.7448156.374-18.2585
111.23170.54370.0364.6996-0.10391.3531-0.1625-0.08050.57080.51920.31680.1156-0.4318-0.0667-0.14093.0658-0.29390.27990.70460.09633.0271163.6866174.8096-22.8421
120.0968-0.0946-0.23860.13290.28560.5005-0.2716-0.05070.36360.0924-0.0066-0.0983-0.42150.0089-0.42731.88290.28610.21463.1749-1.49151.4022205.8567141.951534.0669
132.8873-0.599-0.99313.0653-1.03871.4810.0014-0.46690.00260.59980.6190.4337-0.1209-0.6403-0.23150.7433-0.07190.29732.8388-0.6871.1014190.6199133.389918.1958
145.9697-7.4499-5.30449.30776.62644.71470.7089-0.5355-0.34560.36470.6993-0.1909-1.76450.4064-1.36651.84390.0294-0.15171.2621-0.10611.3525154.0355111.661638.0953
152.85780.983-1.16284.93471.08447.54360.0815-1.17390.40210.6131-0.0558-0.4352-0.66771.3246-0.14661.36960.2486-0.01491.1881-0.23570.5607160.479113.16725.8428
161.72251.41840.01314.06740.59627.68040.27620.2672-0.51570.9138-0.2326-0.17960.3491-0.5528-0.02651.44860.44720.43510.8749-0.14071.045136.0585104.237231.1535
171.0906-1.75291.51999.2339-1.87092.15790.3432-1.33610.84062.37950.51331.0295-1.363-0.8668-0.7691.51550.16630.4871.3721-0.26741.157132.0194110.746547.6461
189.24282.3327-5.23374.2974-2.24375.79120.50430.52081.2616-0.0943-0.2472-0.2456-1.3338-0.3279-0.31921.32550.07530.32810.52250.23350.9359139.8334114.332623.494
195.4754-4.2541-5.87176.03791.77739.14020.2554-1.82031.61841.50520.5933-0.28230.32160.2507-0.73490.8444-0.1326-0.13461.6324-0.64421.2628162.517126.64218.4834
204.82840.734-6.39280.9732-0.75228.6199-0.1519-0.2196-0.250.29550.2618-0.4481-0.5660.3891-0.10360.95860.04410.12661.6859-0.57591.2694184.6489122.0343-2.1646
214.5255-5.4418-4.99058.68473.92768.3159-0.1004-0.4580.53680.28910.04480.15-0.24750.6216-0.03940.8511-0.23460.17921.1594-0.56630.9265162.5667129.35874.9541
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1065.2474-1.50913.61970.4625-1.04622.4961-0.10660.10360.4899-0.4559-0.1098-0.76970.19471.35430.12971.11950.22830.36631.5423-0.03971.5195193.5308126.1045-71.2473
1075.0226.0718-5.76187.3469-6.84517.2804-0.26681.3287-1.1278-0.7030.3918-0.06762.8048-1.1631-0.08482.07990.7763-0.62572.276-0.79071.3199253.0802113.074928.1342
1089.6655-0.11816.24960.1551-0.08194.041-1.7043-2.55090.66722.08120.15750.0871-0.7348-0.70461.33361.72230.276-0.20354.5506-0.16951.3987252.479599.642942.6829
1098.31714.734-7.48123.0197-4.9528.2085-1.7549-0.45910.12631.96990.7504-1.67450.11710.64480.94341.34760.2078-0.14042.73390.48561.4051247.781693.12737.594
1101.6332.28442.80453.91715.34017.5954-0.39-1.03590.20880.29220.03430.1723-0.4351-0.95220.30941.74830.004-1.00563.02960.25791.3991247.9334104.938529.9456
1115.47971.88241.02164.2914-1.57361.4708-0.2428-1.04180.03020.62970.3058-0.6694-0.22870.06090.04890.94130.2413-0.16393.2862-0.37471.4783250.826696.560729.4405
1129.5382-3.19962.24323.3596-2.93662.9559-0.98933.0557-0.8694-0.52620.5526-0.9913-0.77511.87290.32171.3193-0.03850.16371.92960.01211.4504242.295297.378518.3514
1132.8065-0.34532.46431.7712-0.315.28550.023-0.3124-0.1054-0.31420.44470.5697-0.38820.124-0.26481.1054-0.07620.37970.40120.24241.3055108.319142.0743-19.9757
1145.28726.07991.98477.03192.33450.81920.7922-0.51611.11450.93530.49771.3394-0.80230.1557-1.22681.118-0.21980.23511.31270.12591.4693105.95451.7367-15.1631
1151.84482.48-0.27113.4083-0.25415.3336-0.14520.26750.0948-0.16510.2774-0.0456-0.49450.3845-0.1040.6516-0.43140.10751.07710.83761.7934103.765852.3405-31.6686
1169.8409-5.7771-1.17433.66581.4652.3117-0.1169-1.1413-0.6651-0.481-1.43241.04171.5186-0.87951.44441.698-0.54960.0111.5120.36531.743593.645848.1151-39.8068
1171.6314-1.65713.75519.0309-5.06928.85580.12040.0994-1.02580.26820.58631.69520.6145-0.9155-0.6651.3943-0.32370.22021.8713-0.46182.0241251.8678124.77712.657
1186.0332-1.84151.01481.95640.75215.9424-0.06320.1743-0.0341-0.6108-0.08430.00390.6392-0.38160.15361.67540.1032-0.36681.7358-0.63011.7638248.7482129.93794.1359
1193.3346-0.75421.71210.9142-1.09625.6941-0.088-0.65340.66281.6257-0.453-0.5621-1.2009-0.15560.56282.3022-0.692-0.56542.3567-1.0781.9636254.7013132.970610.4449
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)A0
4X-RAY DIFFRACTION4chain 'A' and (resseq 1533:1541)A0
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

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