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- PDB-4ji8: Crystal Structure of 30S ribosomal subunit from Thermus thermophilus -

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Basic information

Entry
Database: PDB / ID: 4ji8
TitleCrystal Structure of 30S ribosomal subunit from Thermus thermophilus
Components
  • (RIBOSOMAL PROTEIN ...) x 20
  • 16S rRNA
KeywordsRibosome/Antibiotic / 30S ribosomal subunit / Ribosome / Streptomycin / RNA structure / Thermus thermophilus / Antibiotic resistance / Decoding / 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: 3.742 Å
AuthorsDemirci, H. / Wang, L. / Murphy IV, F. / Murphy, E. / Carr, J. / Blanchard, S. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
CitationJournal: Rna / Year: 2013
Title: The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Authors: Demirci, H. / Wang, L. / Murphy, F.V. / Murphy, E.L. / Carr, J.F. / Blanchard, S.C. / Jogl, G. / Dahlberg, A.E. / Gregory, S.T.
History
DepositionMar 5, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 6, 2013Provider: repository / Type: Initial release
Revision 1.1Dec 4, 2013Group: Database references
Revision 1.2Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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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)794,754438
Polymers783,98021
Non-polymers10,775417
Water26,3741464
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)400.305, 400.305, 214.785
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: 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: 15009.848 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: 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: 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, 1881 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.: 414 / 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.: 1464 / 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: 5.42 Å3/Da / Density % sol: 77 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: MPD , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 0.98 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 6, 2011
RadiationMonochromator: LN2 cooled fixed-exit Si(111) monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionNumber: 3225504 / Rmerge(I) obs: 0.132 / D res high: 3.74 Å / Num. obs: 177718 / % possible obs: 99.7
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)Num. obs% possible obs (%)IDRmerge(I) obs
3.743.972794398.311.625
3.974.242671510010.872
4.244.582493910010.493
4.585.012302010010.278
5.015.592090010010.171
5.596.451852510010.12
6.457.861581010010.078
7.8610.981243410010.053
10.9850743298.610.034
ReflectionResolution: 3.74→50 Å / Num. all: 177718 / Num. obs: 177718 / % possible obs: 99.7 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Biso Wilson estimate: 138.037 Å2 / Rmerge(I) obs: 0.132 / Net I/σ(I): 18.11
Reflection shell
Resolution (Å)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. unique obsDiffraction-ID% possible all
3.74-3.970.0161.8751401927943198.3
3.97-4.240.0163.53486596267151100
4.24-4.580.0166.42463501249391100
4.58-5.010.01611.2424847230201100
5.01-5.590.01617.66379086209001100
5.59-6.450.01624.98343244185251100
6.45-7.860.01637.67281527158101100
7.86-10.980.01654.33213554124341100
10.98-500.01674.061191307432198.6

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Processing

Software
NameVersionClassificationNB
XSCALEdata scaling
PHENIXdev_1119refinement
PDB_EXTRACT3.11data extraction
XDSdata scaling
PHENIXdev_1119phasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.742→49.854 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8945 / SU ML: 0.4 / σ(F): 1.99 / Phase error: 17.36 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.1873 8970 5.05 %FROM PDB ENTRY 2VQE
Rwork0.1368 ---
all0.1393 177681 --
obs0.1393 177681 99.71 %-
Solvent computationShrinkage radii: 0.8 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 550 Å2 / Biso mean: 154.6193 Å2 / Biso min: 33.2 Å2
Refinement stepCycle: LAST / Resolution: 3.742→49.854 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19093 32550 456 1464 53563
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.02257343
X-RAY DIFFRACTIONf_angle_d2.9586335
X-RAY DIFFRACTIONf_chiral_restr0.13810409
X-RAY DIFFRACTIONf_plane_restr0.0134884
X-RAY DIFFRACTIONf_dihedral_angle_d21.3126031
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 (%)
3.742-3.78450.31592960.26745103539992
3.7845-3.8290.29713010.241455815882100
3.829-3.87570.28173300.228555335863100
3.8757-3.92470.30573070.242555825889100
3.9247-3.97640.28912990.211555735872100
3.9764-4.03080.24973110.194855425853100
4.0308-4.08840.2372790.181256435922100
4.0884-4.14940.2343160.164655425858100
4.1494-4.21420.2392920.166256215913100
4.2142-4.28320.22832830.15755925875100
4.2832-4.3570.18942830.14156235906100
4.357-4.43620.2073190.137155495868100
4.4362-4.52150.20832470.141256555902100
4.5215-4.61370.19222780.135656255903100
4.6137-4.7140.17223150.119355905905100
4.714-4.82350.16772870.106256175904100
4.8235-4.94410.15132850.104356405925100
4.9441-5.07760.14772760.101656285904100
5.0776-5.22690.15053160.101356275943100
5.2269-5.39540.16972920.102556365928100
5.3954-5.5880.15573050.098456165921100
5.588-5.81140.13892680.093857115979100
5.8114-6.07540.15172980.102256355933100
6.0754-6.39510.16953200.101456455965100
6.3951-6.79490.14593060.098656635969100
6.7949-7.3180.17182980.102856965994100
7.318-8.05170.15732980.105957256023100
8.0517-9.21040.16433110.120957306041100
9.2104-11.58020.17563220.134257936115100
11.5802-49.85840.21723320.198459956327100
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)
10.3084-0.01280.00250.3993-0.18930.27570.0295-0.0510.15710.22130.11390.0575-0.17180.0175-0.16151.140.14460.23690.9499-0.13531.0613143.959182.695244.3024
20.74190.14420.09040.69230.03520.43430.13630.0547-0.1438-0.14080.21570.40750.0963-0.3345-0.34181.2460.0578-0.12671.40410.38831.705370.392725.039729.0402
31.48120.661-0.6970.7427-0.34690.2712-0.131-0.0409-0.5444-0.07540.0937-0.1226-0.04710.08610.0251.44810.25460.1021.4602-0.13451.2928150.538958.735657.9451
40.28540.05930.48060.04590.0980.8489-0.029-0.2126-0.1131-1.69720.2739-1.12260.3323-1.3591-0.24343.9238-0.27680.65872.66930.21232.006997.111438.097669.8207
51.7291.88670.60782.12860.25614.68840.1147-0.0144-0.28090.1686-0.214-0.36240.2372-1.28840.18281.54240.4990.43131.3774-0.10391.172170.959698.637569.1321
64.981-0.67284.3885.358-0.15763.9145-0.57311.06541.1946-0.5225-0.1021-0.63210.1961.15280.72311.87250.38240.80232.26450.50981.796974.6024103.404661.6961
77.0194-3.874.64762.1731-2.89956.55350.0303-1.0743-0.4569-0.6845-0.772-0.21711.2475-1.29460.66371.71230.03220.55251.38860.20031.60162.210289.968454.0974
81.94410.03191.31074.87123.82597.22640.2943-0.5737-0.2680.08660.31732.46210.663-1.2016-0.75691.41320.0680.26511.38990.49332.239963.826681.118142.5217
95.35694.1648-0.79027.57743.04053.4640.02062.3511-1.0405-0.88810.60122.6120.16050.4974-0.60311.57110.314-0.58772.7210.44032.255753.17867.916641.1486
105.38470.7183-1.95836.78546.58857.70780.1143-0.59610.81030.13410.26970.31640.32090.1796-0.39641.09140.4850.35091.31470.39661.525170.282293.971253.2199
111.04170.99280.28651.01760.29830.0886-0.2875-0.02781.38041.56820.4151.3798-1.3383-1.9488-0.22731.76880.98180.66672.5879-0.55592.915552.550798.750558.2594
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983.58062.10523.75023.40653.04025.0133-0.37990.14-0.058-0.122-0.2651-0.1190.4786-0.3670.6391.5383-0.02550.35711.0238-0.08580.9583152.1806103.159966.3688
993.30133.73272.4285.07664.72966.37730.82330.29120.122.5408-0.08360.56530.41710.3468-0.62861.1187-0.2260.13071.69150.18210.7089145.701288.917875.9308
1005.1199-2.7004-4.76454.37844.75766.1387-1.3002-2.16552.37280.1368-0.9534.8716-0.8002-3.94282.3541.28710.41140.53412.08040.30863.136880.845671.296299.8141
1015.87217.08636.67521.99989.30828.422-0.65647.40143.8765-5.9867-0.22174.8645-2.97891.5750.9072.27821.0787-0.04083.0550.72822.023382.313777.9355106.7175
1022.69082.58770.47663.0313-0.472.0006-0.32380.12741.7061-0.57670.76270.6627-2.1728-1.2021-0.41082.85020.81540.58531.46370.36821.898995.595475.5864112.2385
1037.33597.06784.79398.57573.29984.1180.1803-1.28670.47810.98330.10561.0949-1.006-2.059-0.32442.55421.35930.84782.42030.70681.571488.350668.9428110.939
1044.3597-0.20260.3327.46155.89524.71340.98862.3665-1.5726-1.7010.11331.10891.3457-2.0928-1.14051.8276-0.1248-0.37161.6146-0.11780.88689.549361.9934102.4022
1053.0614-1.3652.93186.353-3.79558.03690.46590.24180.29110.76190.57740.6119-0.4071-0.1163-0.9812.3160.75780.59791.85650.34391.0295.153371.1592102.6465
1060.94990.0065-0.83191.35750.78711.19470.80220.993-0.52110.67120.0607-0.1146-0.2533-0.5893-0.87771.84990.7867-0.0441.3524-0.27351.246189.811655.1229107.492
1074.5024-1.9366-1.6210.8290.69580.59190.2243-0.40641.61210.4538-0.5276-1.5768-1.11860.27350.26561.68720.3847-0.74511.2361-0.32091.981772.8155-8.874612.2466
1087.3371-0.7735-3.52439.16915.54994.6426-0.30690.1951.5557-0.4918-0.1228-0.25421.35591.21310.37782.082-0.0394-0.53672.76130.00451.775484.48-14.3238-3.0454
1094.30925.667-2.25567.4685-3.23375.1116-0.5366-1.99030.8018-0.2981-1.3625-1.0761-0.83430.99831.95571.9439-0.5823-0.44281.9285-0.08011.951592.1729-11.56841.3728
1105.72217.03236.00921.99994.53618.8056-0.0426-0.97971.521-2.3888-2.97264.8095-1.608-4.0963.05911.73390.2505-0.05563.2391-1.72092.472682.6432-8.11110.043
1114.01592.79382.40842.10352.15272.85690.0743-0.0592-1.35440.92530.666-0.5170.86370.5609-0.70721.71950.406-0.02541.1974-0.08351.91189.1522-13.5829.8997
1128.1804-0.38294.07561.75320.56796.0006-0.5922-0.7029-2.18062.1438-0.0650.65541.53640.3470.56961.49680.25650.14071.13280.3661.900992.6458-5.326520.2349
1134.27992.44713.6375.59495.43637.59830.10.1190.101-0.22540.8402-0.9256-0.44430.741-0.96210.83480.00380.3941.4358-0.23151.2263196.251999.919448.2617
1141.99361.11020.51440.7310.26880.13550.66620.28571.5974-0.03850.7220.14650.01561.6413-1.360.9931-0.12710.24251.5979-0.22881.3138187.9957105.779443.6983
1158.11151.31635.9163.1352-2.41948.22110.7184-1.03940.85451.812-0.84231.65351.127-3.35820.04441.6288-0.64620.94991.503-0.64292.166189.1317108.151360.3476
1166.1369-4.47596.27883.5193-4.37719.0051-2.01090.09060.6908-0.46580.8452-0.4132-2.21411.37591.05111.4547-0.49910.09251.7299-0.81641.9024197.5348116.216367.4007
1178.42444.48281.9777.2433-1.40422.83710.2290.05231.5710.6764-0.0354-2.8911.49772.1629-0.22251.91370.2305-1.03912.39530.89873.473464.7621-2.96738.1591
1185.1127-6.59880.09398.94271.17033.8978-1.298-1.17550.46570.15290.48431.247-0.38380.00190.76731.39210.5404-0.60992.29230.64123.165661.28151.785436.102
1194.24295.0992-1.04366.2093-0.87531.9994-0.74250.18140.99820.2976-0.346-2.2079-0.77460.07481.21531.9002-0.0614-0.38281.71610.79471.708555.4796-2.568530.5212
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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