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- PDB-4dv7: Crystal structure of the Thermus thermophilus 30S ribosomal subun... -

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Basic information

Entry
Database: PDB / ID: 4dv7
TitleCrystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A915G, 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: 3.294 Å
AuthorsDemirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
CitationJournal: To be Published
Title: A structural basis for streptomycin resistance
Authors: Demirci, H. / Murphy IV, F. / Murphy, E. / Gregory, S.T. / Dahlberg, A.E. / Jogl, G.
History
DepositionFeb 22, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 27, 2013Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

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


Theoretical massNumber of molelcules
Total (without water)791,761316
Polymers783,95221
Non-polymers7,809295
Water7,332407
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)403.366, 403.366, 173.597
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212

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Components

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RNA chain , 1 types, 1 molecules A

#1: RNA chain 16S rRNA /


Mass: 494186.781 Da / Num. of mol.: 1 / Mutation: A915G / 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, 702 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.: 292 / 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.: 407 / 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: 72.69 %
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: 3.294→35 Å / Num. all: 210955 / Num. obs: 210955 / % possible obs: 98.8 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 4.8 % / Rmerge(I) obs: 0.091 / Χ2: 1.126 / Net I/σ(I): 12.6
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
3.294-3.424.60.875211410.95199.9
3.42-3.554.80.622210670.986199.7
3.55-3.724.80.422211311.041100
3.72-3.914.80.27211581.11199.9
3.91-4.164.80.186211871.156199.8
4.16-4.484.80.134211971.212199.7
4.48-4.934.80.102211961.213199.5
4.93-5.644.80.089211881.298198.9
5.64-7.094.70.082210901.374197.9
7.09-354.70.046206000.904193

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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: 3.294→34.924 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8533 / SU ML: 0.29 / σ(F): 1.34 / Phase error: 21.52 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2103 10630 5.04 %FROM PDB ENTRY 2VQE
Rwork0.1677 ---
obs0.1698 210877 98.6 %-
all-210877 --
Solvent computationShrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 106.554 Å2 / ksol: 0.264 e/Å3
Displacement parametersBiso max: 495.91 Å2 / Biso mean: 161.2331 Å2 / Biso min: 16.8 Å2
Baniso -1Baniso -2Baniso -3
1--13.3959 Å2-0 Å20 Å2
2---13.3959 Å20 Å2
3---11.1228 Å2
Refinement stepCycle: LAST / Resolution: 3.294→34.924 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19088 32508 334 407 52337
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00756233
X-RAY DIFFRACTIONf_angle_d1.02283506
X-RAY DIFFRACTIONf_chiral_restr0.0710400
X-RAY DIFFRACTIONf_plane_restr0.0064882
X-RAY DIFFRACTIONf_dihedral_angle_d18.28226010
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 (%)
3.294-3.33170.35573600.30656240660093
3.3317-3.37080.3083360.27966777013100
3.3708-3.41190.34513840.276966737057100
3.4119-3.4550.2913600.262166837043100
3.455-3.50050.30243690.248966266995100
3.5005-3.54840.28523610.239467207081100
3.5484-3.5990.24643760.225266827058100
3.599-3.65270.24873550.21866887043100
3.6527-3.70970.27253730.209667207093100
3.7097-3.77040.2463790.199467047083100
3.7704-3.83540.25583140.193567357049100
3.8354-3.9050.20533530.180367057058100
3.905-3.980.22383450.17867367081100
3.98-4.06120.21863760.168867087084100
4.0612-4.14930.2043760.162766867062100
4.1493-4.24570.21293300.154667627092100
4.2457-4.35170.20993790.157966957074100
4.3517-4.46910.20253670.154267117078100
4.4691-4.60030.19823550.148467207075100
4.6003-4.74850.18493240.1456759708399
4.7485-4.91770.18343470.13986733708099
4.9177-5.11410.18173580.13436744710299
5.1141-5.3460.18153350.13696724705999
5.346-5.62680.19663610.13666708706999
5.6268-5.97770.19893330.14296713704698
5.9777-6.43660.18133340.14596723705798
6.4366-7.07950.18943490.13986675702497
7.0795-8.09270.19313350.1416682701797
8.0927-10.15430.18483730.15336678705196
10.1543-34.92590.21353330.1976237657087
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.6250.043-0.20270.7498-0.04770.5981-0.002-0.0295-0.16830.25530.08130.1480.25520.0533-0.07830.82410.11450.06060.6885-0.01191.0629143.542883.4111-12.6372
23.9974-0.75490.44130.50980.11320.369-0.0392-2.13950.91090.41750.2259-0.3803-0.03090.1242-0.19111.2169-0.18830.01182.6243-0.83941.9368223.0032128.24969.8954
32.02770.766-0.80970.3763-0.48770.4766-0.1932-0.184-0.6373-0.11350.1866-0.52970.26640.18030.00361.20780.1773-0.02141.1956-0.06911.6102165.64770.7839-25.5518
42.94932.70020.50794.5274-2.08983.2905-0.90020.51730.03-1.28890.8694-2.0721-0.73780.59960.04161.4672-0.1330.54830.79910.18691.7153157.0513158.123-34.0532
56.63650.366-0.16235.4339-4.6663.9993-0.99710.94260.6068-2.7308-0.5283-1.640.41160.33811.51781.9805-0.13880.34081.16020.0461.5996153.4257150.8747-37.0363
68.66322.50076.16068.50632.77784.50960.3923-1.39470.0374-0.09650.05422.30140.4875-2.0807-0.33951.3724-0.20730.55620.8945-0.01522.5929148.7891159.972-20.5333
74.3729-2.86651.43057.06663.20997.1592-0.25710.190.0221-0.4625-0.6888-1.2201-0.24650.76940.91361.0646-0.13790.35841.26470.03291.6807165.6325162.9879-16.9831
84.97333.49582.90778.0816-1.64684.32610.0401-0.84430.73460.21770.8627-0.2403-0.91361.0621-0.8870.9657-0.11850.49841.2587-0.6361.6698175.1228156.3736-6.1747
95.3547-1.2016-1.23626.99451.72899.21880.00530.30141.21781.38281.532-2.3662-0.77182.9621-1.55091.6084-0.38420.29021.7776-0.90092.6635190.3539161.6757-4.1957
107.06974.06694.39645.35880.19424.56790.0308-0.39920.1607-0.26890.3296-0.6303-0.49390.7055-0.38841.02910.10110.56570.8786-0.22692.0647165.5318155.9974-12.2399
113.2284-3.85282.88.2263-2.50532.60190.4440.1584-0.1086-1.57470.3647-0.6261-0.36130.7326-0.74661.2788-0.15010.59170.7423-0.20881.9427159.0225150.0031-20.3604
124.4652-1.83421.6528.21864.62269.7288-0.47420.30110.4434-0.30020.4456-0.6277-2.13620.2852-0.03231.8777-0.25340.86140.7465-0.26812.4361158.4566167.8533-20.7531
131.25090.8924-0.89551.1279-1.36271.6992-0.2929-0.09790.53010.1030.73450.3439-0.55550.025-0.37063.7444-0.09980.6111.0157-0.19543.3599164.1546174.4584-22.5637
140.16120.00980.5040.0740.13471.69-0.0866-1.18870.49580.1549-0.01530.1256-0.4247-0.36710.06031.5505-0.03040.06824.6657-1.57222.104209.5741136.944628.3209
154.43222.51240.12674.9707-0.9038.20160.1641-2.55932.17131.1724-0.6561-0.5461-0.5460.15990.5041.6264-0.0353-0.13554.5623-1.13782.5496208.0627142.462136.0121
160.23960.2973-0.09440.75890.72942.68640.0782-0.3519-0.00640.7542-0.04070.26340.102-0.96030.09732.30420.1152-0.08795.2517-0.73491.2219198.7266137.92145.5049
170.01710.0279-0.04690.0825-0.21220.7799-0.3383-1.45030.85780.82510.06160.15630.1279-1.43060.44371.68010.0738-0.52473.7555-1.00031.6005199.7596141.717436.8734
183.81491.70470.56752.2094-1.52962.3825-0.2437-1.26390.37080.83811.1885-0.0754-0.0036-0.3639-0.88111.09980.13590.12682.9099-0.44621.3278188.5342130.420717.648
194.96344.8224-2.83678.5464-3.45153.6680.0185-0.8299-0.1680.1311-0.2665-1.57080.3574-0.06250.38880.91790.04260.10113.2771-1.0241.8598194.886130.610720.241
205.6633-5.9137-0.66826.19330.98575.2388-1.24111.4222-0.2691-0.3326-0.03781.62391.1882-0.82371.06562.0531-0.892-0.53851.5192-0.00171.5496155.0016105.271834.1889
216.3518-1.91446.3672.8254-4.19348.6674-0.3095-0.2956-0.38270.4036-0.65840.47490.68630.09840.91322.23670.78680.09071.4335-0.12321.1921151.7368115.052239.9888
222.13071.45771.3435.1827-0.52681.37261.0345-1.68891.08980.3959-0.6458-0.6537-0.12990.7941-0.41771.56040.1805-0.06881.4526-0.28980.9694159.0787112.708625.8813
236.07770.8123.52845.476-2.84375.71980.31-0.9557-0.06861.223-0.13120.44560.319-0.3711-0.18311.48430.10330.33440.7345-0.05420.9416134.2093105.401734.8692
248.7119-1.5569-6.48099.70551.09217.74151.10260.45751.2723-0.0964-0.17760.3062-2.3954-0.9912-0.92321.19820.2465-0.14160.89910.08080.8861136.8628113.608126.9308
255.8711-5.7944-4.87235.72674.81164.0631-0.4445-2.51751.64341.45050.4582-0.69130.26070.7774-0.07211.16350.07510.01251.7428-0.32751.1754164.6362125.12637.2784
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1115.6784-1.517-5.56453.84661.03215.52171.10160.2490.2982-0.2991-0.02080.6401-0.8318-0.2359-1.06681.1076-0.02580.05531.21190.10710.9231175.0648124.4559-69.09
1128.61132.5819-0.29615.6040.1893.415-0.0777-0.29350.1628-0.3636-0.0699-1.12450.44060.63530.12251.40990.35060.2411.48540.2661.314192.2853125.3584-71.7592
1131.88762.16022.67623.74040.47719.0642-0.5702-0.3528-0.0361-0.83460.12120.83931.9081-2.99690.30342.29470.7386-0.94453.1063-1.46552.4409252.4515111.858228.0298
1144.99080.84833.25339.1863-0.58882.2763-1.7357-1.08261.30521.76550.0364-0.1125-0.7068-0.24811.59232.02350.7528-0.41993.84320.23271.8667249.661295.945537.5273
1153.34060.75643.70710.65041.41634.8098-0.4432-1.98710.7441-0.1092-1.22974.46880.5488-4.33941.64961.8699-1.216-0.60233.89470.13383.2026257.11999.36132.8727
1166.1172-2.0059-0.89031.9527-0.03710.9449-0.0890.5856-0.62940.4321-0.2254-0.8180.63120.46420.28521.81810.48540.19023.41280.03252.2024249.282392.192830.5781
1170.1016-0.0152-0.01780.0080.00290.00070.074-0.0064-0.4099-0.24470.1555-0.1270.1161-0.2001-0.24741.91830.0094-0.18133.62170.17952.4441242.977890.158125.987
1189.73630.34387.09620.3329-0.14165.68920.7437-0.4546-1.2030.0439-0.4613-1.35790.51991.4904-0.31.62120.3195-0.37573.40150.28842.7379249.167596.331620.4936
1195.08151.27415.21352.67931.71225.29880.0207-0.1146-0.11010.12090.37360.41320.64110.2674-0.38351.1797-0.06960.30.56770.08771.2755113.272841.3165-16.0184
1209.71510.48711.97575.4412-2.19412.30360.4537-1.24340.02810.2867-0.32282.24861.7434-0.8777-0.19351.2313-0.05770.22270.90890.47621.5828100.476845.1302-25.4834
1212.9924-0.29533.63964.51524.11338.983-0.79290.93450.6339-0.4257-0.2320.26290.20.26360.89061.2173-0.37420.14941.22990.63561.918399.680950.0999-35.5487
1227.8048-5.23333.70854.2248-0.53797.05960.6850.0489-1.2020.2728-0.09731.59790.8609-0.8087-0.55911.5724-0.48820.06322.1783-0.46412.5932251.8462124.4063.0835
1238.8525-3.44723.16343.4838-4.38665.8117-0.1994-0.81472.00320.49910.16130.1901-1.41620.34320.05311.80260.1162-0.31091.3408-0.61672.392249.2437130.18284.3578
1245.64542.60263.53152.85970.87492.6201-0.6570.520.07320.13880.2681-0.5538-0.68740.63290.30982.144-0.9447-0.11463.0076-1.29992.3421253.3787131.422711.2715
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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