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- PDB-3s8f: 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermoph... -

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Basic information

Entry
Database: PDB / ID: 3s8f
Title1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment
Components
  • (Cytochrome c oxidase subunit ...) x 2
  • Cytochrome c oxidase polypeptide 2A
KeywordsOXIDOREDUCTASE / Complex IV / Respiratory chain / Lipid cubic phase / monoolein / peroxide / Electron transport / proton pump / Membrane
Function / homology
Function and homology information


cytochrome-c oxidase / oxidative phosphorylation / cytochrome-c oxidase activity / respirasome / copper ion binding / heme binding / metal ion binding / plasma membrane
Similarity search - Function
Cytochrome c oxidase polypeptide 2A / Cytochrome c oxidase polypeptide 2A, ba3 type / Cytochrome c oxidase subunit IIa family / Ba3-like heme-copper oxidase subunit I / Cytochrome C oxidase subunit IIa, transmembrane domain / Cytochrome C oxidase subunit II, transmembrane / Ba3-like heme-copper oxidase subunit II, C-terminal / Cytochrome C Oxidase; Chain A / Cytochrome c oxidase-like, subunit I domain / Copper centre Cu(A) ...Cytochrome c oxidase polypeptide 2A / Cytochrome c oxidase polypeptide 2A, ba3 type / Cytochrome c oxidase subunit IIa family / Ba3-like heme-copper oxidase subunit I / Cytochrome C oxidase subunit IIa, transmembrane domain / Cytochrome C oxidase subunit II, transmembrane / Ba3-like heme-copper oxidase subunit II, C-terminal / Cytochrome C Oxidase; Chain A / Cytochrome c oxidase-like, subunit I domain / Copper centre Cu(A) / CO II and nitrous oxide reductase dinuclear copper centers signature. / Cytochrome C oxidase subunit II, transmembrane domain superfamily / Cytochrome c oxidase, subunit I, copper-binding site / Heme-copper oxidase catalytic subunit, copper B binding region signature. / Cytochrome c oxidase-like, subunit I domain / Cytochrome oxidase subunit I profile. / Cytochrome c oxidase subunit I / Cytochrome c oxidase-like, subunit I superfamily / Cytochrome C and Quinol oxidase polypeptide I / Cytochrome C oxidase subunit II, periplasmic domain / Cytochrome c oxidase subunit II-like C-terminal / Cytochrome oxidase subunit II copper A binding domain profile. / Rhopdopsin 7-helix transmembrane proteins / Rhodopsin 7-helix transmembrane proteins / Cupredoxins - blue copper proteins / Cupredoxin / Up-down Bundle / Immunoglobulin-like / Sandwich / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
COPPER (II) ION / DINUCLEAR COPPER ION / HEME-AS / PROTOPORPHYRIN IX CONTAINING FE / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / PEROXIDE ION / Cytochrome c oxidase polypeptide 2A / Cytochrome c oxidase subunit 1 / Cytochrome c oxidase subunit 2
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å
AuthorsTiefenbrunn, T. / Liu, W. / Chen, Y. / Katritch, V. / Stout, C.D. / Fee, J.A. / Cherezov, V.
CitationJournal: Plos One / Year: 2011
Title: High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Authors: Tiefenbrunn, T. / Liu, W. / Chen, Y. / Katritch, V. / Stout, C.D. / Fee, J.A. / Cherezov, V.
History
DepositionMay 27, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 3, 2011Provider: repository / Type: Initial release
Revision 1.1Mar 21, 2012Group: Database references
Revision 1.2Nov 8, 2017Group: Refinement description / Category: software
Revision 1.3Feb 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 / pdbx_validate_chiral / 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.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_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: Cytochrome c oxidase subunit 1
B: Cytochrome c oxidase subunit 2
C: Cytochrome c oxidase polypeptide 2A
hetero molecules


Theoretical massNumber of molelcules
Total (without water)93,35624
Polymers85,8913
Non-polymers7,46521
Water3,477193
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9040 Å2
ΔGint-82 kcal/mol
Surface area25300 Å2
MethodPISA
Unit cell
Length a, b, c (Å)143.585, 97.816, 94.952
Angle α, β, γ (deg.)90.00, 128.30, 90.00
Int Tables number5
Space group name H-MC121

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Components

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Cytochrome c oxidase subunit ... , 2 types, 2 molecules AB

#1: Protein Cytochrome c oxidase subunit 1 / / Cytochrome c ba(3) subunit I / Cytochrome c oxidase polypeptide I / Cytochrome cba3 subunit 1


Mass: 63540.141 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (bacteria) / Strain: HB8 / Gene: cbaA, TTHA1135 / Plasmid: PMK18 / Production host: Thermus thermophilus (bacteria) / Strain (production host): HB8 / References: UniProt: Q5SJ79, cytochrome-c oxidase
#2: Protein Cytochrome c oxidase subunit 2 / / Cytochrome c ba(3) subunit II / Cytochrome c oxidase polypeptide II / Cytochrome cba3 subunit 2


Mass: 18581.299 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (bacteria) / Strain: HB8 / Gene: cbaB, cbac, ctaC, TTHA1134 / Plasmid: PMK18 / Production host: Thermus thermophilus (bacteria) / Strain (production host): HB8 / References: UniProt: Q5SJ80, cytochrome-c oxidase

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Protein/peptide , 1 types, 1 molecules C

#3: Protein/peptide Cytochrome c oxidase polypeptide 2A / Cytochrome c ba(3) subunit IIA / Cytochrome c oxidase polypeptide IIA / Cytochrome cba3 subunit 2A


Mass: 3769.602 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (bacteria) / Strain: HB8 / Gene: cbaD, TTHA1133 / Plasmid: PMK18 / Production host: Thermus thermophilus (bacteria) / Strain (production host): HB8 / References: UniProt: P82543, cytochrome-c oxidase

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Non-polymers , 7 types, 214 molecules

#4: Chemical ChemComp-CU / COPPER (II) ION / Copper


Mass: 63.546 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cu
#5: Chemical ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME / Heme B


Mass: 616.487 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C34H32FeN4O4
#6: Chemical ChemComp-HAS / HEME-AS


Mass: 920.954 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C54H64FeN4O6
#7: Chemical ChemComp-PER / PEROXIDE ION / Peroxide


Mass: 31.999 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: O2
#8: Chemical
ChemComp-OLC / (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate / 1-Oleoyl-R-glycerol


Mass: 356.540 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C21H40O4
#9: Chemical ChemComp-CUA / DINUCLEAR COPPER ION


Mass: 127.092 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cu2
#10: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 193 / 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: 5

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Sample preparation

CrystalDensity Matthews: 3.14 Å3/Da / Density % sol: 60.83 %
Crystal growTemperature: 293 K / Method: lipidic cubic phase / pH: 6
Details: 40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 4, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 1.8→50 Å / Num. obs: 92466 / % possible obs: 97.3 % / Redundancy: 4.7 % / Rmerge(I) obs: 0.097 / Χ2: 1.771 / Net I/σ(I): 11.5
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
1.8-1.863.40.6885191.276190.2
1.86-1.944.20.56892621.32197.6
1.94-2.034.80.41892651.373198.3
2.03-2.134.90.32193191.493198.1
2.13-2.2750.23493131.725198.1
2.27-2.4450.18193351.924198.3
2.44-2.6950.13593252.012198.5
2.69-3.0850.10694002.193198.6
3.08-3.8850.08393852.249198.3
3.88-504.90.0693431.791196.8

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
REFMACrefinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
MiFitphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.8→37.26 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.951 / WRfactor Rfree: 0.1996 / WRfactor Rwork: 0.1659 / Occupancy max: 1 / Occupancy min: 0.4 / FOM work R set: 0.8813 / SU B: 4.875 / SU ML: 0.078 / SU R Cruickshank DPI: 0.0997 / SU Rfree: 0.0995 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.109 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2147 4656 5 %RANDOM
Rwork0.1842 ---
obs0.1858 92450 97.21 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso max: 93.61 Å2 / Biso mean: 33.0516 Å2 / Biso min: 3.49 Å2
Baniso -1Baniso -2Baniso -3
1--0.04 Å20 Å20 Å2
2--0.04 Å20 Å2
3---0 Å2
Refinement stepCycle: LAST / Resolution: 1.8→37.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5890 0 456 193 6539
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0290.0217319
X-RAY DIFFRACTIONr_angle_refined_deg2.1691.97811223
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.1027.51500
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.35322.271229
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.84915894
X-RAY DIFFRACTIONr_dihedral_angle_4_deg22.4931526
X-RAY DIFFRACTIONr_chiral_restr0.2090.2978
X-RAY DIFFRACTIONr_gen_planes_refined0.0110.0227977
X-RAY DIFFRACTIONr_mcbond_it1.4351.53751
X-RAY DIFFRACTIONr_mcangle_it1.96826057
X-RAY DIFFRACTIONr_scbond_it3.01532818
X-RAY DIFFRACTIONr_scangle_it4.1964.52865
LS refinement shellResolution: 1.801→1.847 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.363 318 -
Rwork0.331 5797 -
all-6115 -
obs--87.65 %
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)
15.8634-2.00462.57721.1815-0.9431.6186-0.0026-0.388-0.26090.31620.0172-0.30610.20870.2639-0.01460.42660.0785-0.12880.46860.08690.427233.78611.51336.6268
26.49032.0132-2.54971.2667-1.41841.71640.0124-0.1281-0.03380.0682-0.0436-0.1282-0.04430.11470.03120.14360.0087-0.00990.1331-0.01010.140420.14656.679438.6923
30.98740.43220.04320.92050.12660.32580.0794-0.17350.03390.0942-0.0889-0.0105-0.07420.10060.00940.1190.0144-0.02010.1160.00120.0978.8253.006138.3099
40.8250.5661-0.03360.51680.02730.12650.0425-0.10420.13080.068-0.02240.007-0.0980.0384-0.02020.14450.0095-0.01110.12350.00070.13130.811113.365637.8336
51.3392-0.3749-0.44950.93390.30641.14620.11550.11880.1677-0.101-0.0318-0.1169-0.11690.0706-0.08370.1543-0.0049-0.02020.11230.01120.118414.737515.400420.9885
60.95440.09690.49830.5719-0.34120.71810.0498-0.03440.12950.0087-0.02270.0734-0.1013-0.0903-0.02710.1565-0.01050.00680.12460.01740.10963.26478.028924.5575
71.2967-0.159-0.40830.5977-0.05590.5040.04470.16920.1388-0.0357-0.0361-0.0774-0.00120.0183-0.00860.1624-0.0128-0.00820.13-0.01620.12099.44131.84315.0181
83.23130.3459-0.71490.12090.06491.68110.03250.20480.1342-0.0961-0.02790.047-0.1242-0.0538-0.00460.15810.0081-0.00930.1323-0.00670.128-5.61053.91569.6529
94.3692-2.29871.07923.2109-0.66071.920.110.20920.0563-0.1196-0.1184-0.10690.06980.10910.00850.1539-0.02380.01010.1387-0.00190.130816.6149-8.416512.9252
100.72320.58290.49660.95140.6210.8231-0.01970.1836-0.1884-0.14730.02230.20310.2085-0.2037-0.00270.3548-0.0705-0.03980.3691-0.04110.370527.2569-23.016515.8778
111.5858-0.02690.23240.6411-0.01920.79880.05040.1313-0.0863-0.0494-0.0435-0.05560.09470.1092-0.0070.1141-0.01150.00830.07750.00260.08267.5847-9.544924.0742
120.88181.2014-0.32794.3630.04080.33740.0401-0.24610.03010.2718-0.0315-0.07260.01050.0362-0.00860.14090.01310.00380.2012-0.01050.146427.5448-2.191636.3324
138.35762.80272.48492.06590.06434.74720.039-0.0811-0.13050.1343-0.0025-0.32720.12470.4018-0.03640.17090.00730.00720.15420.00310.157925.6909-13.80840.0256
141.5523-0.39010.07380.638-0.0020.37880.00990.0543-0.1022-0.0069-0.005700.06190.029-0.00410.1125-0.00520.00290.09740.0050.0928-0.5572-12.576332.3918
156.781-3.0654-2.1035.7420.54992.4739-0.00050.0654-0.10240.0437-0.04230.23140.0973-0.12970.04290.1168-0.016-0.00860.11610.02230.1133-14.2655-16.138736.8421
165.72441.96150.69323.06310.06512.07970.1476-0.2169-0.10210.2528-0.0564-0.3161-0.0670.1866-0.09120.1490.03320.02410.11660.00410.10758.9595-12.339742.0232
170.75320.1539-0.84390.3078-0.16613.54820.0472-0.5057-0.07620.3512-0.0607-0.05750.0150.32430.01350.4310.0112-0.02150.37410.01480.291532.9387-0.536537.8688
180.4522-0.27670.07960.5023-0.03711.07930.13310.44290.1302-0.4544-0.225-0.09440.12560.32180.09190.46550.10950.04590.51510.07460.297128.27240.2325.0782
193.2952-1.209-0.4740.47160.1840.09460.05640.11210.1114-0.0667-0.0289-0.0906-0.02070.0493-0.02750.1769-0.0051-0.00060.1719-0.00320.16568.189313.85798.9038
200.66160.2629-1.0631.0466-0.98182.32410.03560.15020.1125-0.08090.01-0.0009-0.1688-0.1031-0.04570.1711-0.0201-0.01690.1713-0.00180.1887-14.985915.985128.6934
212.31191.9710.83072.02560.72864.35520.00840.0216-0.14880.0820.0004-0.46580.27410.5861-0.00880.2536-0.005-0.01840.23350.00750.353128.7744-11.72234.979
226.7968-1.2117-0.76122.8881-0.27244.8761-0.0312-0.0815-0.17560.02050.012-0.20510.17330.3170.01920.2001-0.0075-0.00570.1848-0.00170.191115.358-10.63493.8299
235.6411-0.9936-0.72570.55290.70411.6236-0.00590.03540.0262-0.03290.0288-0.18830.00110.2828-0.02280.17470.00350.00980.17740.03030.22392.6482-9.0994.6542
242.8673-1.756-0.46381.3418-0.18493.58710.00590.2541-0.1953-0.1483-0.00880.03050.1354-0.03560.00290.1986-0.02970.02150.2034-0.02650.1845-9.701-7.30475.0555
251.6813-1.184-2.34411.04221.85024.0593-0.12870.1737-0.40940.036-0.04240.13630.4807-0.33740.17110.2839-0.0433-0.0560.22410.00680.3321-18.691-5.79078.1018
262.70271.3974-2.006811.04081.0574.28820.08070.24970.4051-0.374-0.03890.3474-0.4526-0.3153-0.04170.1599-0.0101-0.00990.2001-0.00640.1654-19.14044.285914.0596
272.9222-0.5846-2.03771.29811.29444.68350.09250.03480.1248-0.0847-0.0136-0.1021-0.25330.11-0.07880.19490.0031-0.0140.19070.0020.2111-25.752214.543526.3388
282.3872-0.5339-1.55152.3767-0.51391.63570.0695-0.04590.36790.0060.0437-0.0637-0.28610.0922-0.11320.2183-0.0218-0.05780.1610.01680.1733-34.56388.82128.6418
292.30121.41161.93013.43890.028910.84030.02880.297-0.0375-0.2936-0.10040.1366-0.2062-0.19360.07160.16790.0068-0.00130.17820.00540.2065-37.85981.627318.9349
301.93820.20491.57771.20870.38923.1777-0.04680.1758-0.0563-0.22790.0010.1928-0.0289-0.1580.04580.1280.00070.02250.13350.00830.1558-29.98191.186724.0452
314.00741.73590.96860.8230.45220.30420.0292-0.067-0.15080.0557-0.02330.02920.0907-0.0736-0.00590.1498-0.00880.01770.1343-0.00320.1455-30.1178-1.948831.5422
328.00484.35595.31986.4947.211315.2226-0.16020.3189-0.3470.10550.02370.30410.7164-0.1950.13650.16140.01250.00140.14020.0330.17-34.1961-8.378221.6923
333.92454.42440.980910.69611.59862.4837-0.11690.4561-0.0743-0.53340.14770.12770.01490.0526-0.03080.14370.01540.00840.17020.00050.1693-29.6186-3.447516.0079
341.38240.23080.17372.12891.09151.91430.00340.0378-0.0158-0.0318-0.01960.0674-0.005-0.05290.01620.0904-0.00480.00530.1070.01420.0917-20.5625-0.149826.1528
352.2702-1.289-0.20663.88471.99391.7342-0.00110.11040.2189-0.1242-0.026-0.0845-0.16710.02880.0270.1358-0.00740.00630.14150.0070.1344-19.41127.421224.1432
361.59433.94210.333614.58143.13761.3137-0.03470.25190.1767-0.3730.02480.388-0.1205-0.14130.010.13710.01140.01460.18990.00480.1439-24.9062-2.814215.3569
370.44340.59210.93927.02731.70685.9211-0.00880.2034-0.2845-0.4722-0.0335-0.47730.64970.41260.04230.1948-0.02480.0740.2084-0.06030.3453-28.3549-14.345518.7203
385.56051.65534.4926.43193.87347.17860.0646-0.0683-0.25520-0.04350.32450.333-0.3273-0.0210.10760.01520.01860.11360.00950.0996-23.3951-9.418628.8741
392.00650.52951.59561.39950.80492.95890.0544-0.194-0.01020.1073-0.0667-0.01290.031-0.03370.01220.10030.01330.00580.0934-0.00030.1062-17.188-1.991536.1386
409.14983.27114.645811.69917.511912.51250.05460.2386-0.4935-0.1978-0.1640.78470.718-0.90180.10940.2061-0.0060.00660.20430.02750.1697-33.9142-12.375823.1881
418.8751.2924-4.46032.4257-1.59697.5649-0.04610.4988-0.5129-0.5232-0.0258-0.42330.51390.3830.07190.205-0.0005-0.01180.1968-0.00080.202819.2724-19.20918.6184
428.0187-1.62162.35180.9582-1.45442.45340.01190.238-0.3687-0.19950.0029-0.07070.34980.1133-0.01470.1708-0.00350.00620.1696-0.01540.17869.9473-16.78312.5466
433.7714-0.69882.01722.3268-1.86162.12510.06330.1597-0.2094-0.1651-0.0522-0.01680.15790.0682-0.01120.1524-0.00460.00370.1482-0.00540.14970.0185-15.246613.8088
445.7051-0.4794-0.04723.76621.53951.6412-0.00420.25850.0227-0.2377-0.01510.00980.0691-0.05490.01930.1473-0.0008-0.00260.14060.0010.1475-9.2699-14.739613.3006
453.5982.1742-2.42994.5957-0.0953.788-0.03820.2351-0.0211-0.18420.04540.24920.1357-0.3778-0.00730.14260.0081-0.00320.1454-0.00040.1528-16.4717-12.746114.5387
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A9 - 17
2X-RAY DIFFRACTION2A18 - 31
3X-RAY DIFFRACTION3A32 - 111
4X-RAY DIFFRACTION4A112 - 158
5X-RAY DIFFRACTION5A159 - 212
6X-RAY DIFFRACTION6A213 - 251
7X-RAY DIFFRACTION7A252 - 291
8X-RAY DIFFRACTION8A292 - 303
9X-RAY DIFFRACTION9A304 - 324
10X-RAY DIFFRACTION10A325 - 333
11X-RAY DIFFRACTION11A334 - 399
12X-RAY DIFFRACTION12A400 - 412
13X-RAY DIFFRACTION13A413 - 423
14X-RAY DIFFRACTION14A424 - 454
15X-RAY DIFFRACTION15A455 - 466
16X-RAY DIFFRACTION16A467 - 490
17X-RAY DIFFRACTION17A491 - 509
18X-RAY DIFFRACTION18A510 - 521
19X-RAY DIFFRACTION19A522 - 546
20X-RAY DIFFRACTION20A547 - 562
21X-RAY DIFFRACTION21B3 - 12
22X-RAY DIFFRACTION22B13 - 20
23X-RAY DIFFRACTION23B21 - 29
24X-RAY DIFFRACTION24B30 - 36
25X-RAY DIFFRACTION25B37 - 43
26X-RAY DIFFRACTION26B44 - 49
27X-RAY DIFFRACTION27B50 - 59
28X-RAY DIFFRACTION28B60 - 68
29X-RAY DIFFRACTION29B69 - 75
30X-RAY DIFFRACTION30B76 - 89
31X-RAY DIFFRACTION31B90 - 94
32X-RAY DIFFRACTION32B95 - 99
33X-RAY DIFFRACTION33B100 - 105
34X-RAY DIFFRACTION34B106 - 124
35X-RAY DIFFRACTION35B125 - 133
36X-RAY DIFFRACTION36B134 - 138
37X-RAY DIFFRACTION37B139 - 143
38X-RAY DIFFRACTION38B144 - 149
39X-RAY DIFFRACTION39B150 - 163
40X-RAY DIFFRACTION40B164 - 168
41X-RAY DIFFRACTION41C4 - 10
42X-RAY DIFFRACTION42C11 - 16
43X-RAY DIFFRACTION43C17 - 23
44X-RAY DIFFRACTION44C24 - 29
45X-RAY DIFFRACTION45C30 - 34

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