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- PDB-7a0r: 50S Deinococcus radiodurans ribosome bounded with mycinamicin I -

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Basic information

Entry
Database: PDB / ID: 7a0r
Title50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Components
  • (50S ribosomal protein ...) x 26
  • RNA (120-MER)
  • RNA (2730-MER)
KeywordsANTIBIOTIC / Complex / NPET / Macrolide / A2058
Function / homology
Function and homology information


large ribosomal subunit / transferase activity / 5S rRNA binding / large ribosomal subunit rRNA binding / cytosolic large ribosomal subunit / tRNA binding / cytoplasmic translation / rRNA binding / negative regulation of translation / ribosome ...large ribosomal subunit / transferase activity / 5S rRNA binding / large ribosomal subunit rRNA binding / cytosolic large ribosomal subunit / tRNA binding / cytoplasmic translation / rRNA binding / negative regulation of translation / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / RNA binding / metal ion binding / cytoplasm
Similarity search - Function
Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / Ribosomal protein L16 signature 1. / : / Ribosomal protein L16, conserved site / Ribosomal protein L16 signature 2. / Ribosomal protein L17 signature. / Ribosomal L25p family ...Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / Ribosomal protein L16 signature 1. / : / Ribosomal protein L16, conserved site / Ribosomal protein L16 signature 2. / Ribosomal protein L17 signature. / Ribosomal L25p family / Ribosomal protein L25 / Ribosomal protein L28/L24 superfamily / Ribosomal protein L25/Gln-tRNA synthetase, N-terminal / Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / Ribosomal protein L32p, bacterial type / Ribosomal protein L28 / Ribosomal protein L35, conserved site / Ribosomal protein L35 signature. / Ribosomal protein L33, conserved site / Ribosomal protein L33 signature. / Ribosomal protein L35, non-mitochondrial / Ribosomal protein L5, bacterial-type / Ribosomal protein L18, bacterial-type / Ribosomal protein L6, bacterial-type / Ribosomal protein L19, conserved site / Ribosomal protein L19 signature. / Ribosomal protein L20 signature. / Ribosomal protein L27, conserved site / Ribosomal protein L27 signature. / Ribosomal protein L14P, bacterial-type / Ribosomal protein L34, conserved site / Ribosomal protein L34 signature. / Ribosomal protein L22, bacterial/chloroplast-type / Ribosomal protein L2, bacterial/organellar-type / Ribosomal protein L35 / Ribosomal protein L35 superfamily / Ribosomal protein L35 / Ribosomal L28 family / Ribosomal protein L33 / Ribosomal protein L33 / Ribosomal protein L28/L24 / Ribosomal protein L18 / Ribosomal L18 of archaea, bacteria, mitoch. and chloroplast / Ribosomal protein L33 superfamily / Ribosomal protein L30, bacterial-type / : / Ribosomal protein L16 / L28p-like / Ribosomal protein L20 / Ribosomal protein L20 / Ribosomal protein L20, C-terminal / Ribosomal protein L21 / Ribosomal protein L27 / Ribosomal L27 protein / Ribosomal protein L19 / Ribosomal protein L19 superfamily / Ribosomal protein L19 / Ribosomal proteins 50S L24/mitochondrial 39S L24 / Ribosomal protein L17 / Ribosomal protein L17 superfamily / Ribosomal protein L17 / Ribosomal protein L21-like / L21-like superfamily / Ribosomal prokaryotic L21 protein / Ribosomal L32p protein family / Ribosomal protein L24 / Ribosomal protein L32p / Ribosomal protein L34 / Ribosomal protein L34 / Ribosomal protein L13, bacterial-type / Ribosomal protein L3, bacterial/organelle-type / Ribosomal protein L15, bacterial-type / 50S ribosomal protein uL4 / Ribosomal protein L23/L25, conserved site / Ribosomal protein L23 signature. / Ribosomal protein L2 signature. / Ribosomal protein L29, conserved site / Ribosomal protein L29 signature. / : / Ribosomal protein L2, conserved site / Ribosomal protein L15, conserved site / Ribosomal protein L15 signature. / Ribosomal protein L5, N-terminal / Ribosomal protein L5 / Ribosomal protein L5, C-terminal / ribosomal L5P family C-terminus / Ribosomal protein L5 / Ribosomal protein L5 domain superfamily / Ribosomal protein L10e/L16 / Ribosomal protein L10e/L16 superfamily / Ribosomal protein L16p/L10e / Ribosomal protein L6, alpha-beta domain / Ribosomal protein L6 / Ribosomal protein L6 / Ribosomal protein L6, alpha-beta domain superfamily / Ribosomal protein L2, domain 3 / Ribosomal protein L13, conserved site / Ribosomal protein L13 signature. / Ribosomal protein L14P, conserved site / Ribosomal protein L14 signature.
Similarity search - Domain/homology
mycinamicin II / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL34 ...mycinamicin II / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Large ribosomal subunit protein bL32 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL34 / Large ribosomal subunit protein bL17 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL18 / Large ribosomal subunit protein uL6 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein bL35 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL25 / Large ribosomal subunit protein uL5 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL29 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL23 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein bL27
Similarity search - Component
Biological speciesDeinococcus radiodurans R1 (radioresistant)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsBreiner, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Rozenberg, H. / Zimmerman, E. / Bashan, A. / Yonath, A.
Funding support United States, 2items
OrganizationGrant numberCountry
European Research Council (ERC)322581
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM118101 United States
CitationJournal: Nucleic Acids Res. / Year: 2021
Title: Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Authors: Breiner-Goldstein, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Baum, M. / Rokney, A. / Ezernitchi, A.V. / Lowell, A.N. / Schmidt, J.J. / Rozenberg, H. / Zimmerman, E. / Bashan, ...Authors: Breiner-Goldstein, E. / Eyal, Z. / Matzov, D. / Halfon, Y. / Cimicata, G. / Baum, M. / Rokney, A. / Ezernitchi, A.V. / Lowell, A.N. / Schmidt, J.J. / Rozenberg, H. / Zimmerman, E. / Bashan, A. / Valinsky, L. / Anzai, Y. / Sherman, D.H. / Yonath, A.
History
DepositionAug 10, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 18, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
X: RNA (2730-MER)
Y: RNA (120-MER)
A: 50S ribosomal protein L2
B: 50S ribosomal protein L3
C: 50S ribosomal protein L4
D: 50S ribosomal protein L5
E: 50S ribosomal protein L6
G: 50S ribosomal protein L13
H: 50S ribosomal protein L14
I: 50S ribosomal protein L15
J: 50S ribosomal protein L16
K: 50S ribosomal protein L17
L: 50S ribosomal protein L18
M: 50S ribosomal protein L19
N: 50S ribosomal protein L20
O: 50S ribosomal protein L21
P: 50S ribosomal protein L22
Q: 50S ribosomal protein L23
R: 50S ribosomal protein L24
S: 50S ribosomal protein L25
T: 50S ribosomal protein L27
U: 50S ribosomal protein L28
V: 50S ribosomal protein L29
W: 50S ribosomal protein L30
Z: 50S ribosomal protein L32
1: 50S ribosomal protein L33
2: 50S ribosomal protein L34
3: 50S ribosomal protein L35
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,323,960374
Polymers1,314,84728
Non-polymers9,113346
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: mass spectrometry
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)170.484, 408.933, 697.322
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222

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Components

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RNA chain , 2 types, 2 molecules XY

#1: RNA chain RNA (2730-MER)


Mass: 932488.500 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: GenBank: 1026245073
#2: RNA chain RNA (120-MER)


Mass: 38665.148 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: GenBank: 11612676

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50S ribosomal protein ... , 26 types, 26 molecules ABCDEGHIJKLMNOPQRSTUVWZ123

#3: Protein 50S ribosomal protein L2


Mass: 29533.010 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ9
#4: Protein 50S ribosomal protein L3


Mass: 22033.609 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXK2
#5: Protein 50S ribosomal protein L4


Mass: 21405.232 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXK1
#6: Protein 50S ribosomal protein L5


Mass: 19992.455 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ0
#7: Protein 50S ribosomal protein L6


Mass: 18266.004 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSL3
#8: Protein 50S ribosomal protein L13


Mass: 15966.381 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXY1
#9: Protein 50S ribosomal protein L14


Mass: 14256.539 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ2
#10: Protein 50S ribosomal protein L15


Mass: 14798.907 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSK9
#11: Protein 50S ribosomal protein L16


Mass: 15543.239 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ5
#12: Protein 50S ribosomal protein L17


Mass: 12926.067 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSJ5
#13: Protein 50S ribosomal protein L18


Mass: 11098.696 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSL2
#14: Protein 50S ribosomal protein L19


Mass: 12948.889 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RWB4
#15: Protein 50S ribosomal protein L20


Mass: 13860.079 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSW7
#16: Protein 50S ribosomal protein L21


Mass: 10980.562 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RY64
#17: Protein 50S ribosomal protein L22


Mass: 14475.030 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ7
#18: Protein 50S ribosomal protein L23


Mass: 10336.936 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXK0
#19: Protein 50S ribosomal protein L24


Mass: 11770.651 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ1
#20: Protein 50S ribosomal protein L25 / General stress protein CTC


Mass: 19184.021 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RX88
#21: Protein 50S ribosomal protein L27


Mass: 7907.146 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RY65
#22: Protein 50S ribosomal protein L28


Mass: 8148.552 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RRG8
#23: Protein 50S ribosomal protein L29


Mass: 7073.173 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RXJ4
#24: Protein 50S ribosomal protein L30


Mass: 6079.235 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSL0
#25: Protein 50S ribosomal protein L32


Mass: 6579.690 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: P49228
#26: Protein/peptide 50S ribosomal protein L33


Mass: 5771.778 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSS4
#27: Protein/peptide 50S ribosomal protein L34


Mass: 5626.587 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSH2
#28: Protein 50S ribosomal protein L35


Mass: 7130.701 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Deinococcus radiodurans R1 (radioresistant)
References: UniProt: Q9RSW6

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Non-polymers , 2 types, 346 molecules

#29: Chemical ChemComp-QTZ / mycinamicin II / (1~{S},2~{S},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-2-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione


Mass: 727.879 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C37H61NO13 / Feature type: SUBJECT OF INVESTIGATION
#30: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 345 / Source method: obtained synthetically / Formula: Mg

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Details

Has ligand of interestY

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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: 4.81 Å3/Da / Density % sol: 74.41 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop
Details: Ribosome solution containing 0.0065 mM (180 A/ml) of D50S in 10 mM Hepes pH=7.8, 15 mM MgCl2 and 75 mM NH4Cl crystallization buffer was mixed with 10 mM spermidine, 1 % ethanol and 0.5 % 2- ...Details: Ribosome solution containing 0.0065 mM (180 A/ml) of D50S in 10 mM Hepes pH=7.8, 15 mM MgCl2 and 75 mM NH4Cl crystallization buffer was mixed with 10 mM spermidine, 1 % ethanol and 0.5 % 2-ethyl-1,3-hexanediol precipitants. A 0.005 ml crystallization drop was hanged over 10 % ethanol and 5% 2-ethyl-1,3-hexanediol in ddw reservoir.
PH range: 7.8

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.873 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Feb 2, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.873 Å / Relative weight: 1
ReflectionResolution: 3.3→50 Å / Num. obs: 359719 / % possible obs: 98.4 % / Redundancy: 3.4 % / Biso Wilson estimate: 98.15 Å2 / Rmerge(I) obs: 0.182 / Rpim(I) all: 0.113 / Rrim(I) all: 0.215 / Χ2: 1.012 / Net I/σ(I): 5.5 / Num. measured all: 1224927
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
3.3-3.363.31.145179790.550.7111.3550.98599
3.36-3.423.31.028179790.5960.6391.2181.01799.2
3.42-3.483.30.888179500.6450.5511.0511.02799.1
3.48-3.553.30.783179610.6780.4870.9281.0298.9
3.55-3.633.30.697178820.7190.4350.8261.00698.5
3.63-3.723.20.598179000.7560.3830.7151.02398.6
3.72-3.813.30.523180000.8070.3280.6211.02999
3.81-3.913.40.452180160.8710.2780.5331.02399.2
3.91-4.033.30.39180640.8930.2440.4631.01599.2
4.03-4.163.30.344180050.9060.2170.4091.01599
4.16-4.313.60.285181030.9360.1710.3341.01199.1
4.31-4.483.60.251180170.9470.1510.2941.0199
4.48-4.683.60.218179840.9520.1320.2561.00898.7
4.68-4.933.50.195179280.9550.1190.2290.99897.9
4.93-5.243.40.173178300.9610.1080.2051.01797.7
5.24-5.643.30.157178890.9630.0990.1871.00897.8
5.64-6.213.40.144180000.9630.0890.170.99797.9
6.21-7.13.60.13180280.970.0780.1531.01197.8
7.1-8.943.60.12180140.9720.0720.141.0497.2
8.94-503.40.119181900.960.0760.1420.97695.8

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHENIX1.12_2829refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
PHENIX1.12_2829phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3PIO

3pio


Resolution: 3.3→49.545 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 27.88 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2492 17953 5.04 %
Rwork0.2151 338576 -
obs0.2168 356529 98.33 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 335.24 Å2 / Biso mean: 125.9572 Å2 / Biso min: 21.22 Å2
Refinement stepCycle: final / Resolution: 3.3→49.545 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23424 61153 393 0 84970
Biso mean--74.51 --
Num. residues----5957
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00892297
X-RAY DIFFRACTIONf_angle_d1.378138892
X-RAY DIFFRACTIONf_chiral_restr0.06117889
X-RAY DIFFRACTIONf_plane_restr0.0087030
X-RAY DIFFRACTIONf_dihedral_angle_d19.60548788
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.3-3.33750.37545770.34781131899
3.3375-3.37670.38066050.33911119299
3.3767-3.41790.37175850.33341137399
3.4179-3.46120.34526190.32151125199
3.4612-3.50670.34646310.31461121399
3.5067-3.55470.33245650.30511135599
3.5547-3.60550.31925800.29381119099
3.6055-3.65930.31165850.2811122798
3.6593-3.71650.32875830.27371128198
3.7165-3.77740.30785880.25831127199
3.7774-3.84250.27076410.23861126899
3.8425-3.91230.26285810.23241132999
3.9123-3.98750.26496070.22561135699
3.9875-4.06890.25386120.22131129599
4.0689-4.15730.28645930.22321137699
4.1573-4.2540.25236030.20611131299
4.254-4.36030.25585890.20241133799
4.3603-4.47810.24275810.19851134699
4.4781-4.60980.24775730.20441133699
4.6098-4.75850.23846080.19411120298
4.7585-4.92840.23536350.18681118098
4.9284-5.12550.21226180.17841117098
5.1255-5.35860.22965970.17261120297
5.3586-5.64070.20645940.16261126898
5.6407-5.99350.20646070.16641128798
5.9935-6.45540.21486010.17561130998
6.4554-7.10330.20925850.17681132698
7.1033-8.12730.21525810.17971132197
8.1273-10.22480.20956040.19561126296
10.2248-49.540.23366250.22231142395
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)
10.3867-0.0320.00820.2763-0.00440.5403-0.06910.38520.2571-0.28120.10160.3127-0.3115-0.3171-0.03891.0553-0.0581-0.27091.52610.40651.07347.2344151.097597.5586
20.56880.0136-0.11970.45030.10690.9985-0.08040.35590.0293-0.22570.13080.001-0.01910.2919-0.05310.578-0.1567-0.09731.25420.15890.671842.9554122.1072113.2813
31.3123-0.9862-0.06690.66020.11891.6139-0.0161-0.55440.40740.3750.04080.0068-0.5498-0.257-0.01331.1312-0.09490.00341.0484-0.07981.126230.2622171.3133167.1051
40.461-0.09810.09520.5138-0.1570.7859-0.04380.17820.3471-0.1457-0.0911-0.1886-0.410.53710.170.8167-0.3538-0.05951.29890.2110.902865.9217147.3107135.009
50.5425-0.26440.05320.4466-0.04880.7242-0.03980.3330.5004-0.3015-0.0157-0.0587-0.57380.1581-0.0261.2054-0.3989-0.13541.38950.41271.102849.0916159.2678107.0375
60.4377-0.05460.13050.2816-0.06950.8762-0.03350.34570.0089-0.21370.01180.02360.09790.3152-0.01320.5989-0.1342-0.01711.39030.08550.608559.7202107.563114.1945
72.14390.8721-0.92242.3861-0.86241.1370.3174-0.0136-0.7404-0.48070.5514-0.37010.1689-0.3093-0.78812.041-0.207-0.03373.6091-0.07841.062285.4975111.687514.2575
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952.1962-0.1506-0.26141.12930.34331.43650.06250.8969-0.9035-1.0299-0.078-0.51490.43891.51720.05191.76970.10420.17542.7467-0.19451.2175103.706283.811759.7571
960.4359-0.51830.04930.95550.03950.03320.32650.1869-0.0447-0.0118-0.0692-0.0199-0.1375-0.1215-0.23631.5303-0.2604-0.06152.4530.22190.852662.8297124.789248.9698
970.1308-0.2521-0.02030.50960.22412.0722-0.0420.06670.0378-0.0532-0.0970.0088-0.00380.18480.12122.173-0.4319-0.16722.4743-0.11250.69764.4709114.349340.0916
982.0243-1.2006-0.33913.3105-0.36410.18040.15230.4808-0.1622-0.7703-0.05150.444-0.0405-0.6945-0.01331.8799-0.20390.1922.7732-0.29090.791264.3624117.883138.728
991.20270.10560.17162.01280.19931.95650.5022-0.04290.10540.2864-0.08550.4525-0.26950.2016-0.38012.1654-0.3472-0.43591.39230.20021.61132.5963185.9846100.9261
1001.24540.01640.87651.0657-0.22890.7025-0.05380.78110.49990.1657-0.25460.1363-0.50870.78440.24921.655-0.4954-0.25981.68980.70971.331848.2081171.65787.2002
1013.4162-2.1585-1.19542.67490.84271.58360.0335-0.12220.5641-0.3362-0.70370.09490.43470.70130.59872.12790.15960.0091.43750.4731.501732.3413200.5079108.8123
1020.2201-0.1689-0.18151.4133-0.56290.7284-0.1258-0.12690.45490.1210.36260.51-0.8227-0.2244-0.23262.06520.21480.13041.51170.7051.88833.2327199.8386100.6617
1030.09160.03040.06160.09970.00810.0431-0.0448-0.0332-0.06840.0822-0.0351-0.0805-0.1411-0.07190.06342.30111.2665-0.40452.66340.61292.9426-29.4423181.568135.1717
1042.7671.1181-0.12991.0815-0.67734.07170.6215-0.44560.3061-0.15620.53490.7068-0.0876-0.1932-1.11281.19880.1576-0.19811.9825-0.17311.5737-19.8555169.641145.7142
1051.13120.178-0.08870.7731-0.12361.16420.0737-0.25380.5107-0.3724-0.2393-0.0834-0.0564-0.42620.15461.19770.653-0.0682.45340.19292.1567-21.6982171.232134.5605
1060.4576-0.1615-0.46141.059-0.07530.52850.6220.6399-0.4752-0.54360.00120.32490.82180.5499-0.60871.4424-0.2285-0.24772.7683-0.14570.861339.595292.092259.7412
1073.59130.0813-0.55120.9494-1.24091.7607-0.2590.062-0.8576-0.61360.375-0.00390.33990.1023-0.06761.6443-0.1483-0.11391.6679-0.02981.172642.961184.85560.4455
1083.891-0.55580.06712.38090.17364.22090.79370.80680.46970.0054-0.765-0.4728-0.4674-0.85830.01780.70610.0459-0.14051.02320.19040.902227.1971107.1301122.7881
1091.7804-0.14560.22483.3625-1.28793.06080.33840.2228-0.42250.2480.62630.13290.46680.2256-0.86060.9261-0.2406-0.25920.85480.09221.097915.454696.6952138.5902
1100.7447-0.37730.41840.54490.19950.7520.2444-0.04510.3930.607-0.47730.23150.1902-0.1950.19941.2144-0.4395-0.03391.7808-0.09661.8696-0.11592.0387158.5263
1110.2314-0.3547-0.40341.1453-0.20531.83160.0185-0.0525-0.37390.00210.14550.06120.0327-0.4591-0.13670.874-0.3894-0.11490.88150.41721.01647.776195.1957158.3183
1121.42220.8706-1.32632.8656-2.443.7392-0.21610.2639-0.032-0.00210.06760.40020.2291-0.26830.11270.7224-0.34520.0321.49410.56961.32470.953898.5699163.224
1132.34280.68220.13780.3973-0.51521.68170.446-0.0099-0.2259-0.45940.0783-0.4661-0.3428-0.1352-0.47841.1288-0.20840.09630.6652-0.30421.25624.365698.7945167.9481
1141.453-0.43890.50981.108-0.36080.22270.1531-0.28750.09040.27480.09240.0765-0.0853-0.1031-0.20092.18320.01520.09152.36360.26881.332277.5011155.973865.7411
1150.0847-0.16740.2050.3515-0.43430.56070.2039-0.00010.1831-0.0981-0.0537-0.00490.01250.11-0.12692.07770.2985-0.16141.9076-0.2551.407569.8464161.39253.7498
1162.4522-0.2473-1.11540.06770.19611.66070.04090.0337-0.016-0.08970.00240.0496-0.02750.135-0.0382.5074-0.3124-0.60932.13540.48431.040564.8044167.04944.7661
1170.64250.64940.23780.67850.12531.6868-0.1187-0.07310.4142-0.0463-0.01190.31730.24440.20490.11881.7306-0.8233-0.16893.06790.47011.520465.8847158.379450.9026
1180.5662-0.06160.1230.1511-0.09240.4923-0.02790.07890.07640.1251-0.0847-0.1223-0.00230.14040.07692.3053-0.331-0.3482.26480.72111.041879.5447155.071557.7819
1190.3042-0.38030.35870.7102-0.58520.50250.0909-0.01210.07750.02480.03630.07350.03130.0068-0.08682.8654-0.8520.46582.89540.42561.243582.7432159.830853.6093
1200.8032-0.5751-0.18671.1409-0.38971.12730.1973-0.0635-0.0633-0.0885-0.05440.065-0.00430.1257-0.05091.34320.05780.04412.47231.29741.897174.1097159.639745.7432
1210.3364-0.28440.03770.4616-0.07770.01680.00720.08550.01960.06580.07960.1257-0.0449-0.1746-0.08231.7388-0.51760.08662.71130.74511.116962.4838160.738339.5397
1221.1224-0.1358-0.09771.0499-0.6950.55160.12630.08990.13460.10820.0393-0.18860.04840.0261-0.13612.66160.2615-0.05971.85150.33981.181571.7738163.327748.543
1230.99390.2198-0.9461.99110.75921.38950.3307-0.2075-0.21780.1810.3861-0.117-0.29780.4033-0.6221.24040.4781-0.1131.0120.27011.201927.0767155.0796135.1313
1240.81210.43830.17440.7927-0.19530.40460.02010.3060.41080.09650.25510.32860.0344-0.0694-0.26741.07790.1374-0.26751.16770.34541.181318.0344164.1918119.3705
1251.88910.97881.43042.05742.49977.29190.6015-0.02650.08090.47270.54160.02770.11860.1793-1.03481.9726-0.1283-0.44991.1164-0.04551.121412.81156.7597126.0438
1260.6735-0.63230.42761.60390.34520.8433-0.5281.51210.3487-0.0162-0.2902-0.4143-0.31320.06530.79871.344-0.5752-0.11042.42640.36830.847443.0291148.721962.0232
1270.3854-0.1774-0.12120.215-0.12750.29190.0554-0.0146-0.14180.08740.04430.14740.01550.0213-0.08292.6053-0.8121-0.3922.0980.54791.248557.3306147.206651.142
1280.747-0.5631-0.37051.68770.340.18960.26480.07120.1693-0.62510.07970.5804-0.1291-0.269-0.2971.4538-0.5701-0.13252.47150.68191.087436.7822143.995362.5314
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'X' and (resid 1 through 677 )X1 - 677
2X-RAY DIFFRACTION2chain 'X' and (resid 678 through 1496 )X678 - 1496
3X-RAY DIFFRACTION3chain 'X' and (resid 1497 through 1656 )X0
4X-RAY DIFFRACTION4chain 'X' and (resid 1657 through 1993 )X0
5X-RAY DIFFRACTION5chain 'X' and (resid 1994 through 2227 )X0
6X-RAY DIFFRACTION6chain 'X' and (resid 2228 through 2877 )X0
7X-RAY DIFFRACTION7chain 'Y' and (resid 3 through 11 )Y3 - 11
8X-RAY DIFFRACTION8chain 'Y' and (resid 12 through 21 )Y12 - 21
9X-RAY DIFFRACTION9chain 'Y' and (resid 22 through 41 )Y22 - 41
10X-RAY DIFFRACTION10chain 'Y' and (resid 42 through 61 )Y42 - 61
11X-RAY DIFFRACTION11chain 'Y' and (resid 62 through 81 )Y62 - 81
12X-RAY DIFFRACTION12chain 'Y' and (resid 82 through 91 )Y82 - 91
13X-RAY DIFFRACTION13chain 'Y' and (resid 92 through 122 )Y92 - 122
14X-RAY DIFFRACTION14chain 'A' and (resid 2 through 16 )A2 - 16
15X-RAY DIFFRACTION15chain 'A' and (resid 17 through 54 )A17 - 54
16X-RAY DIFFRACTION16chain 'A' and (resid 55 through 83 )A55 - 83
17X-RAY DIFFRACTION17chain 'A' and (resid 84 through 116 )A84 - 116
18X-RAY DIFFRACTION18chain 'A' and (resid 117 through 200 )A117 - 200
19X-RAY DIFFRACTION19chain 'A' and (resid 201 through 222 )A201 - 222
20X-RAY DIFFRACTION20chain 'A' and (resid 223 through 240 )A223 - 240
21X-RAY DIFFRACTION21chain 'A' and (resid 241 through 272 )A241 - 272
22X-RAY DIFFRACTION22chain 'B' and (resid 1 through 16 )B1 - 16
23X-RAY DIFFRACTION23chain 'B' and (resid 17 through 77 )B17 - 77
24X-RAY DIFFRACTION24chain 'B' and (resid 78 through 101 )B78 - 101
25X-RAY DIFFRACTION25chain 'B' and (resid 102 through 185 )B102 - 185
26X-RAY DIFFRACTION26chain 'B' and (resid 186 through 206 )B186 - 206
27X-RAY DIFFRACTION27chain 'C' and (resid 2 through 96 )C2 - 96
28X-RAY DIFFRACTION28chain 'C' and (resid 97 through 129 )C97 - 129
29X-RAY DIFFRACTION29chain 'C' and (resid 130 through 167 )C130 - 167
30X-RAY DIFFRACTION30chain 'C' and (resid 168 through 198 )C168 - 198
31X-RAY DIFFRACTION31chain 'D' and (resid 3 through 120 )D3 - 120
32X-RAY DIFFRACTION32chain 'D' and (resid 121 through 130 )D121 - 130
33X-RAY DIFFRACTION33chain 'D' and (resid 131 through 179 )D131 - 179
34X-RAY DIFFRACTION34chain 'E' and (resid 5 through 44 )E5 - 44
35X-RAY DIFFRACTION35chain 'E' and (resid 45 through 175 )E45 - 175
36X-RAY DIFFRACTION36chain 'G' and (resid 30 through 87 )G30 - 87
37X-RAY DIFFRACTION37chain 'G' and (resid 88 through 97 )G88 - 97
38X-RAY DIFFRACTION38chain 'G' and (resid 98 through 165 )G98 - 165
39X-RAY DIFFRACTION39chain 'G' and (resid 166 through 172 )G166 - 172
40X-RAY DIFFRACTION40chain 'H' and (resid 1 through 25 )H1 - 25
41X-RAY DIFFRACTION41chain 'H' and (resid 26 through 68 )H26 - 68
42X-RAY DIFFRACTION42chain 'H' and (resid 69 through 109 )H69 - 109
43X-RAY DIFFRACTION43chain 'H' and (resid 110 through 134 )H110 - 134
44X-RAY DIFFRACTION44chain 'I' and (resid 1 through 30 )I1 - 30
45X-RAY DIFFRACTION45chain 'I' and (resid 31 through 50 )I31 - 50
46X-RAY DIFFRACTION46chain 'I' and (resid 51 through 60 )I51 - 60
47X-RAY DIFFRACTION47chain 'I' and (resid 61 through 137 )I61 - 137
48X-RAY DIFFRACTION48chain 'J' and (resid 6 through 25 )J6 - 25
49X-RAY DIFFRACTION49chain 'J' and (resid 26 through 37 )J26 - 37
50X-RAY DIFFRACTION50chain 'J' and (resid 38 through 125 )J38 - 125
51X-RAY DIFFRACTION51chain 'J' and (resid 126 through 134 )J126 - 134
52X-RAY DIFFRACTION52chain 'J' and (resid 135 through 141 )J135 - 141
53X-RAY DIFFRACTION53chain 'K' and (resid 1 through 13 )K1 - 13
54X-RAY DIFFRACTION54chain 'K' and (resid 14 through 32 )K14 - 32
55X-RAY DIFFRACTION55chain 'K' and (resid 33 through 89 )K33 - 89
56X-RAY DIFFRACTION56chain 'K' and (resid 90 through 116 )K90 - 116
57X-RAY DIFFRACTION57chain 'L' and (resid 8 through 58 )L8 - 58
58X-RAY DIFFRACTION58chain 'L' and (resid 59 through 63 )L59 - 63
59X-RAY DIFFRACTION59chain 'L' and (resid 64 through 82 )L64 - 82
60X-RAY DIFFRACTION60chain 'L' and (resid 83 through 97 )L83 - 97
61X-RAY DIFFRACTION61chain 'L' and (resid 98 through 111 )L98 - 111
62X-RAY DIFFRACTION62chain 'M' and (resid 1 through 107 )M1 - 107
63X-RAY DIFFRACTION63chain 'M' and (resid 108 through 113 )M108 - 113
64X-RAY DIFFRACTION64chain 'N' and (resid 2 through 31 )N2 - 31
65X-RAY DIFFRACTION65chain 'N' and (resid 32 through 72 )N32 - 72
66X-RAY DIFFRACTION66chain 'N' and (resid 73 through 92 )N73 - 92
67X-RAY DIFFRACTION67chain 'N' and (resid 93 through 118 )N93 - 118
68X-RAY DIFFRACTION68chain 'O' and (resid 1 through 10 )O1 - 10
69X-RAY DIFFRACTION69chain 'O' and (resid 11 through 31 )O11 - 31
70X-RAY DIFFRACTION70chain 'O' and (resid 32 through 39 )O32 - 39
71X-RAY DIFFRACTION71chain 'O' and (resid 40 through 54 )O40 - 54
72X-RAY DIFFRACTION72chain 'O' and (resid 55 through 98 )O55 - 98
73X-RAY DIFFRACTION73chain 'P' and (resid 6 through 10 )P6 - 10
74X-RAY DIFFRACTION74chain 'P' and (resid 11 through 99 )P11 - 99
75X-RAY DIFFRACTION75chain 'P' and (resid 100 through 133 )P100 - 133
76X-RAY DIFFRACTION76chain 'Q' and (resid 2 through 10 )Q2 - 10
77X-RAY DIFFRACTION77chain 'Q' and (resid 11 through 22 )Q11 - 22
78X-RAY DIFFRACTION78chain 'Q' and (resid 23 through 29 )Q23 - 29
79X-RAY DIFFRACTION79chain 'Q' and (resid 30 through 57 )Q30 - 57
80X-RAY DIFFRACTION80chain 'Q' and (resid 58 through 67 )Q58 - 67
81X-RAY DIFFRACTION81chain 'Q' and (resid 68 through 75 )Q68 - 75
82X-RAY DIFFRACTION82chain 'Q' and (resid 76 through 81 )Q76 - 81
83X-RAY DIFFRACTION83chain 'Q' and (resid 82 through 94 )Q82 - 94
84X-RAY DIFFRACTION84chain 'R' and (resid 4 through 13 )R4 - 13
85X-RAY DIFFRACTION85chain 'R' and (resid 14 through 40 )R14 - 40
86X-RAY DIFFRACTION86chain 'R' and (resid 41 through 56 )R41 - 56
87X-RAY DIFFRACTION87chain 'R' and (resid 57 through 68 )R57 - 68
88X-RAY DIFFRACTION88chain 'R' and (resid 69 through 77 )R69 - 77
89X-RAY DIFFRACTION89chain 'R' and (resid 78 through 87 )R78 - 87
90X-RAY DIFFRACTION90chain 'R' and (resid 88 through 97 )R88 - 97
91X-RAY DIFFRACTION91chain 'R' and (resid 98 through 102 )R98 - 102
92X-RAY DIFFRACTION92chain 'R' and (resid 103 through 107 )R103 - 107
93X-RAY DIFFRACTION93chain 'R' and (resid 108 through 113 )R108 - 113
94X-RAY DIFFRACTION94chain 'S' and (resid 1 through 70 )S1 - 70
95X-RAY DIFFRACTION95chain 'S' and (resid 71 through 175 )S71 - 175
96X-RAY DIFFRACTION96chain 'T' and (resid 12 through 65 )T12 - 65
97X-RAY DIFFRACTION97chain 'T' and (resid 66 through 72 )T66 - 72
98X-RAY DIFFRACTION98chain 'T' and (resid 73 through 85 )T73 - 85
99X-RAY DIFFRACTION99chain 'U' and (resid 6 through 18 )U6 - 18
100X-RAY DIFFRACTION100chain 'U' and (resid 19 through 47 )U19 - 47
101X-RAY DIFFRACTION101chain 'U' and (resid 48 through 57 )U48 - 57
102X-RAY DIFFRACTION102chain 'U' and (resid 58 through 79 )U58 - 79
103X-RAY DIFFRACTION103chain 'V' and (resid 6 through 10 )V6 - 10
104X-RAY DIFFRACTION104chain 'V' and (resid 11 through 34 )V11 - 34
105X-RAY DIFFRACTION105chain 'V' and (resid 35 through 66 )V35 - 66
106X-RAY DIFFRACTION106chain 'W' and (resid 1 through 46 )W1 - 46
107X-RAY DIFFRACTION107chain 'W' and (resid 47 through 55 )W47 - 55
108X-RAY DIFFRACTION108chain 'Z' and (resid 2 through 19 )Z2 - 19
109X-RAY DIFFRACTION109chain 'Z' and (resid 20 through 29 )Z20 - 29
110X-RAY DIFFRACTION110chain 'Z' and (resid 30 through 38 )Z30 - 38
111X-RAY DIFFRACTION111chain 'Z' and (resid 39 through 46 )Z39 - 46
112X-RAY DIFFRACTION112chain 'Z' and (resid 47 through 51 )Z47 - 51
113X-RAY DIFFRACTION113chain 'Z' and (resid 52 through 59 )Z52 - 59
114X-RAY DIFFRACTION114chain '1' and (resid 6 through 10 )16 - 10
115X-RAY DIFFRACTION115chain '1' and (resid 11 through 15 )111 - 15
116X-RAY DIFFRACTION116chain '1' and (resid 16 through 20 )116 - 20
117X-RAY DIFFRACTION117chain '1' and (resid 21 through 25 )121 - 25
118X-RAY DIFFRACTION118chain '1' and (resid 26 through 30 )126 - 30
119X-RAY DIFFRACTION119chain '1' and (resid 31 through 35 )131 - 35
120X-RAY DIFFRACTION120chain '1' and (resid 36 through 40 )136 - 40
121X-RAY DIFFRACTION121chain '1' and (resid 41 through 47 )141 - 47
122X-RAY DIFFRACTION122chain '1' and (resid 48 through 54 )148 - 54
123X-RAY DIFFRACTION123chain '2' and (resid 1 through 17 )21 - 17
124X-RAY DIFFRACTION124chain '2' and (resid 18 through 37 )218 - 37
125X-RAY DIFFRACTION125chain '2' and (resid 38 through 47 )238 - 47
126X-RAY DIFFRACTION126chain '3' and (resid 2 through 37 )32 - 37
127X-RAY DIFFRACTION127chain '3' and (resid 38 through 43 )338 - 43
128X-RAY DIFFRACTION128chain '3' and (resid 44 through 64 )344 - 64

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