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Basic information

Entry
Database: PDB / ID: 4ogq
TitleInternal Lipid Architecture of the Hetero-Oligomeric Cytochrome b6f Complex
Components
  • (Cytochrome b6-f complex subunit ...) x 5
  • Apocytochrome f
  • Cytochrome b6
  • Cytochrome b6-f complex iron-sulfur subunit 1
KeywordsELECTRON TRANSPORT / Electron transfer / Plastocyanin / cytochrome c6 / Thylakoid membrane
Function / homology
Function and homology information


cytochrome b6f complex / plastoquinol-plastocyanin reductase / plastoquinol--plastocyanin reductase activity / : / cytochrome complex assembly / photosynthetic electron transport chain / plasma membrane-derived thylakoid membrane / : / photosynthesis / respiratory electron transport chain ...cytochrome b6f complex / plastoquinol-plastocyanin reductase / plastoquinol--plastocyanin reductase activity / : / cytochrome complex assembly / photosynthetic electron transport chain / plasma membrane-derived thylakoid membrane / : / photosynthesis / respiratory electron transport chain / 2 iron, 2 sulfur cluster binding / electron transfer activity / oxidoreductase activity / iron ion binding / heme binding / metal ion binding
Similarity search - Function
Single helix bin / plastocyanin oxidoreductase / Cytochrome B6-F complex subunit VI (PetL) / Cytochrome b6-f complex subunit 6 / Cytochrome f large domain / Cytochrome b6-f complex iron-sulfur subunit / Cytochrome b6/f complex, subunit 5 / Cytochrome b6-f complex, subunit 8 / Cytochrome b6/f complex, subunit IV / PetM of cytochrome b6/f complex subunit 7 ...Single helix bin / plastocyanin oxidoreductase / Cytochrome B6-F complex subunit VI (PetL) / Cytochrome b6-f complex subunit 6 / Cytochrome f large domain / Cytochrome b6-f complex iron-sulfur subunit / Cytochrome b6/f complex, subunit 5 / Cytochrome b6-f complex, subunit 8 / Cytochrome b6/f complex, subunit IV / PetM of cytochrome b6/f complex subunit 7 / Cytochrome b6, PetB / Cytochrome b6/f complex, subunit 5 superfamily / Cytochrome b6-f complex, subunit 8 superfamily / Cytochrome B6-F complex subunit 5 / PetN / PetM family of cytochrome b6f complex subunit 7 / Cytochrome f transmembrane anchor / Cytochrome f / Cytochrome f large domain / Cytochrome f large domain superfamily / Apocytochrome F, C-terminal / Apocytochrome F, N-terminal / Cytochrome f family profile. / Single helix bin / Cytochrome Bc1 Complex; Chain C / Cytochrome Bc1 Complex; Chain C / Rieske Iron-sulfur Protein / Rieske [2Fe-2S] iron-sulphur domain / 3-layer Sandwich / : / : / Cytochrome b/b6, C-terminal / Cytochrome b(C-terminal)/b6/petD / Cytochrome b/b6 C-terminal region profile. / Cytochrome b/b6, C-terminal domain superfamily / Cytochrome b/b6/petB / RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain / Rieske iron-sulphur protein, C-terminal / Rudiment single hybrid motif / Cytochrome b/b6, N-terminal / Cytochrome b/b6-like domain superfamily / Cytochrome b/b6 N-terminal region profile. / Di-haem cytochrome, transmembrane / Rieske iron-sulphur protein / Rieske [2Fe-2S] domain / Rieske [2Fe-2S] iron-sulphur domain / Rieske [2Fe-2S] iron-sulfur domain profile. / Rieske [2Fe-2S] iron-sulphur domain superfamily / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Helix Hairpins / Up-down Bundle / Beta Barrel / Immunoglobulin-like / Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Chem-1O2 / Chem-2WA / Chem-2WD / Chem-2WM / Chem-3WM / Chem-7PH / Octadecane / BETA-CAROTENE / : / CHLOROPHYLL A ...Chem-1O2 / Chem-2WA / Chem-2WD / Chem-2WM / Chem-3WM / Chem-7PH / Octadecane / BETA-CAROTENE / : / CHLOROPHYLL A / FE2/S2 (INORGANIC) CLUSTER / HEME C / PENTADECANE / N-OCTANE / Chem-OPC / Chem-SQD / Cytochrome b6 / Cytochrome b6-f complex subunit 7 / Cytochrome b6-f complex subunit 5 / Cytochrome b6-f complex subunit 8 / Cytochrome b6-f complex subunit 6 / Cytochrome f / Cytochrome b6-f complex iron-sulfur subunit 1 / Cytochrome b6-f complex subunit 4
Similarity search - Component
Biological speciesNostoc sp. (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.501 Å
AuthorsHasan, S.S. / Cramer, W.A.
CitationJournal: Structure / Year: 2014
Title: Internal Lipid Architecture of the Hetero-Oligomeric Cytochrome b6f Complex.
Authors: Hasan, S.S. / Cramer, W.A.
History
DepositionJan 16, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 14, 2014Provider: repository / Type: Initial release
Revision 1.1Jul 23, 2014Group: Database references
Revision 2.0Mar 10, 2021Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Non-polymer description / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / database_PDB_caveat / entity / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / pdbx_validate_close_contact / struct_conn / struct_conn_type / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.type_symbol / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.name / _chem_comp.pdbx_synonyms / _entity.formula_weight / _entity.pdbx_description / _pdbx_entity_nonpoly.comp_id / _pdbx_entity_nonpoly.name / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _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 / _pdbx_validate_close_contact.auth_comp_id_2 / _struct_conn.conn_type_id / _struct_conn.id / _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_type.id / _struct_site.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id / _struct_site_gen.auth_comp_id / _struct_site_gen.label_comp_id
Revision 3.0Dec 25, 2024Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Non-polymer description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_validate_chiral / pdbx_validate_close_contact / struct_conn
Item: _chem_comp.formula / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cytochrome b6
B: Cytochrome b6-f complex subunit 4
C: Apocytochrome f
D: Cytochrome b6-f complex iron-sulfur subunit 1
E: Cytochrome b6-f complex subunit 6
F: Cytochrome b6-f complex subunit 7
G: Cytochrome b6-f complex subunit 5
H: Cytochrome b6-f complex subunit 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,32039
Polymers111,0228
Non-polymers15,29931
Water1,67593
1
A: Cytochrome b6
B: Cytochrome b6-f complex subunit 4
C: Apocytochrome f
D: Cytochrome b6-f complex iron-sulfur subunit 1
E: Cytochrome b6-f complex subunit 6
F: Cytochrome b6-f complex subunit 7
G: Cytochrome b6-f complex subunit 5
H: Cytochrome b6-f complex subunit 8
hetero molecules

A: Cytochrome b6
B: Cytochrome b6-f complex subunit 4
C: Apocytochrome f
D: Cytochrome b6-f complex iron-sulfur subunit 1
E: Cytochrome b6-f complex subunit 6
F: Cytochrome b6-f complex subunit 7
G: Cytochrome b6-f complex subunit 5
H: Cytochrome b6-f complex subunit 8
hetero molecules


Theoretical massNumber of molelcules
Total (without water)252,64078
Polymers222,04316
Non-polymers30,59762
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation12_565x,x-y+1,-z+1/61
Buried area92420 Å2
ΔGint-929 kcal/mol
Surface area75820 Å2
MethodPISA
Unit cell
Length a, b, c (Å)159.228, 159.228, 365.879
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number178
Space group name H-MP6122

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Components

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Protein , 3 types, 3 molecules ACD

#1: Protein Cytochrome b6


Mass: 24291.555 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: P0A384
#3: Protein Apocytochrome f


Mass: 35957.816 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: Q93SW9
#4: Protein Cytochrome b6-f complex iron-sulfur subunit 1 / Plastohydroquinone:plastocyanin oxidoreductase iron-sulfur protein 1 / ISP 1 / RISP 1 / Rieske iron- ...Plastohydroquinone:plastocyanin oxidoreductase iron-sulfur protein 1 / ISP 1 / RISP 1 / Rieske iron-sulfur protein 1


Mass: 19216.572 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: Q93SX0, EC: 1.10.9.1

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Cytochrome b6-f complex subunit ... , 5 types, 5 molecules BEFGH

#2: Protein Cytochrome b6-f complex subunit 4 / 17 kDa polypeptide


Mass: 17548.805 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: Q93SX1
#5: Protein/peptide Cytochrome b6-f complex subunit 6 / Cytochrome b6-f complex subunit PetL / Cytochrome b6-f complex subunit VI


Mass: 3227.002 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: Q8YVQ2
#6: Protein/peptide Cytochrome b6-f complex subunit 7 / Cytochrome b6-f complex subunit PetM / Cytochrome b6-f complex subunit VII


Mass: 3547.192 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: P0A3Y1
#7: Protein/peptide Cytochrome b6-f complex subunit 5 / Cytochrome b6-f complex subunit PetG / Cytochrome b6-f complex subunit V


Mass: 3997.765 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: P58246
#8: Protein/peptide Cytochrome b6-f complex subunit 8 / Cytochrome b6-f complex subunit PetN / Cytochrome b6-f complex subunit VIII


Mass: 3234.939 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Nostoc sp. (bacteria) / Strain: PCC 7120 / UTEX 2576 / References: UniProt: P61048

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Non-polymers , 18 types, 124 molecules

#9: Chemical
ChemComp-HEC / HEME C


Mass: 618.503 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C34H34FeN4O4
#10: Chemical
ChemComp-UMQ / UNDECYL-MALTOSIDE / UNDECYL-BETA-D-MALTOPYRANOSIDE


Mass: 496.589 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C23H44O11 / Comment: detergent*YM
#11: Chemical
ChemComp-7PH / (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate / PHOSPHATIDIC ACID


Mass: 564.732 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C29H57O8P
#12: Chemical
ChemComp-8K6 / Octadecane / N-Octadecane


Mass: 254.494 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C18H38
#13: Chemical ChemComp-2WM / (1S,8E)-1-{[(2S)-3-hydroxy-2-{[(1S)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol


Mass: 627.034 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C39H78O5
#14: Chemical ChemComp-CLA / CHLOROPHYLL A


Mass: 893.489 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C55H72MgN4O5
#15: Chemical ChemComp-OPC / (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE / DIOLEOYL-PHOSPHATIDYLCHOLINE


Mass: 801.148 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C45H87NO8P / Comment: phospholipid*YM
#16: Chemical ChemComp-CD / CADMIUM ION


Mass: 112.411 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cd
#17: Chemical ChemComp-MYS / PENTADECANE


Mass: 212.415 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C15H32
#18: Chemical ChemComp-SQD / 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL / SULFOQUINOVOSYLDIACYLGLYCEROL


Mass: 795.116 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C41H78O12S
#19: Chemical ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER


Mass: 175.820 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Fe2S2
#20: Chemical ChemComp-2WD / (1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol


Mass: 278.385 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C14H30O5
#21: Chemical ChemComp-3WM / (1S,8E,1'R,8'Z)-1,1'-{[(2S)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol


Mass: 625.018 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C39H76O5
#22: Chemical ChemComp-2WA / (1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol


Mass: 570.927 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C35H70O5
#23: Chemical ChemComp-OCT / N-OCTANE


Mass: 114.229 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18
#24: Chemical ChemComp-1O2 / (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate / 1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol


Mass: 757.089 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C43H80O10
#25: Chemical ChemComp-BCR / BETA-CAROTENE


Mass: 536.873 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C40H56
#26: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 93 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

CrystalDensity Matthews: 6.03 Å3/Da / Density % sol: 79.6 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: PEG550MME, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

Diffraction
IDMean temperature (K)Crystal-ID
11001
21001
Diffraction source
SourceSiteBeamlineIDWavelength (Å)
SYNCHROTRONAPS 19-ID10.97856
SYNCHROTRONAPS 19-ID20.97856
Detector
TypeIDDetectorDate
ADSC QUANTUM 3151CCDNov 25, 2007
ADSC QUANTUM 3152CCDNov 25, 2007
Radiation
IDMonochromatorProtocolMonochromatic (M) / Laue (L)Scattering typeWavelength-ID
1CCDSINGLE WAVELENGTHMx-ray1
2CCDSINGLE WAVELENGTHMx-ray1
Radiation wavelengthWavelength: 0.97856 Å / Relative weight: 1
ReflectionResolution: 2.5→39.57 Å / Num. all: 505923 / Num. obs: 498334 / % possible obs: 98.5 %

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
PHENIXmodel building
PHENIX(phenix.refine: 1.8.4_1496)refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 2.501→39.57 Å / SU ML: 0.33 / σ(F): 1.33 / Phase error: 24.77 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2324 4285 5.03 %
Rwork0.2006 --
obs0.2023 93385 98.25 %
all-498334 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.501→39.57 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7296 0 1007 93 8396
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0038521
X-RAY DIFFRACTIONf_angle_d0.76611511
X-RAY DIFFRACTIONf_dihedral_angle_d15.4833570
X-RAY DIFFRACTIONf_chiral_restr0.0261182
X-RAY DIFFRACTIONf_plane_restr0.0041330
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5008-2.52920.38561510.34862676X-RAY DIFFRACTION90
2.5292-2.55890.351510.34782950X-RAY DIFFRACTION100
2.5589-2.59010.36171320.32122955X-RAY DIFFRACTION100
2.5901-2.62290.32821630.31662930X-RAY DIFFRACTION100
2.6229-2.65740.32331570.30062969X-RAY DIFFRACTION100
2.6574-2.69380.30291400.28732957X-RAY DIFFRACTION100
2.6938-2.73230.2751470.28232976X-RAY DIFFRACTION100
2.7323-2.77310.3031530.27072959X-RAY DIFFRACTION100
2.7731-2.81640.28551360.25992954X-RAY DIFFRACTION100
2.8164-2.86250.28261540.2552954X-RAY DIFFRACTION100
2.8625-2.91190.2841510.24812947X-RAY DIFFRACTION99
2.9119-2.96480.28881630.24212957X-RAY DIFFRACTION99
2.9648-3.02180.27751550.24482957X-RAY DIFFRACTION99
3.0218-3.08350.25271680.22072925X-RAY DIFFRACTION99
3.0835-3.15050.25311390.22622992X-RAY DIFFRACTION99
3.1505-3.22380.26161500.21662960X-RAY DIFFRACTION99
3.2238-3.30430.26841860.21322940X-RAY DIFFRACTION99
3.3043-3.39360.23761720.20812956X-RAY DIFFRACTION99
3.3936-3.49340.22021380.20062967X-RAY DIFFRACTION99
3.4934-3.60610.23281400.18632983X-RAY DIFFRACTION99
3.6061-3.73490.20951520.18952992X-RAY DIFFRACTION99
3.7349-3.88430.20871550.18252992X-RAY DIFFRACTION99
3.8843-4.0610.20421780.18222954X-RAY DIFFRACTION99
4.061-4.27480.19761960.17072922X-RAY DIFFRACTION98
4.2748-4.54230.18721790.16572986X-RAY DIFFRACTION98
4.5423-4.89240.17261510.16023003X-RAY DIFFRACTION98
4.8924-5.38370.23991670.17483023X-RAY DIFFRACTION99
5.3837-6.16020.20991510.19263059X-RAY DIFFRACTION98
6.1602-7.75160.22411630.19223040X-RAY DIFFRACTION97
7.7516-39.57840.25121560.18882856X-RAY DIFFRACTION85
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)
17.03892.1578-3.38781.1972-0.58062.32880.9168-0.00230.99450.2082-0.2985-0.5337-2.57110.6398-0.66981.0469-0.0803-0.02890.61210.0460.9727-27.916993.500133.9717
24.61571.5003-0.61972.8082-0.02042.56290.0850.52380.38-0.04990.05780.3111-0.0331-0.0858-0.13270.29480.0596-0.01830.3696-0.00860.3577-47.610672.377517.9948
33.4642-2.4868-3.71552.41711.86224.91280.11090.4940.2538-0.24630.04660.0391-0.04690.115-0.13520.327-0.0231-0.020.6001-0.02040.4512-42.387870.19489.4905
45.23791.35430.36862.12150.09082.31070.0320.9603-0.0585-0.15840.1108-0.02910.10810.1459-0.10770.34410.08640.01810.5301-0.12220.4077-39.191360.158814.8477
54.54191.2095-1.51452.5902-0.23912.43810.10320.3731-0.33260.23190.0096-0.18970.0910.2256-0.09150.26190.0723-0.03320.5159-0.07810.4114-38.262358.022221.4135
67.28290.3882-0.49211.38560.06480.1548-0.03550.40660.973-0.11840.1834-0.2678-0.23910.5944-0.16620.4872-0.09910.09290.88250.02710.589-26.905485.295312.1182
75.94727.363-7.44059.6706-9.15839.76020.1799-0.15590.5768-0.7409-0.07750.69490.93830.5741-0.11170.50630.039-0.13290.7302-0.09440.8081-61.588360.488311.0862
85.10265.469-1.99878.998-0.54771.5340.47140.181-0.47920.433-0.3115-0.4915-0.0361-0.3344-0.21180.52210.0104-0.13471.0376-0.11350.811-56.376549.93478.2319
93.36870.31720.13193.0134-0.52322.56960.05250.7499-0.3107-0.4180.092-0.28210.18130.375-0.15230.44140.11730.01860.9158-0.27580.5993-30.616856.78542.559
107.97034.0822-3.76466.7735-3.04716.9172-0.52492.4663-1.3387-1.19990.8018-1.77731.4345-2.4009-0.1371.4188-0.0799-0.04571.6203-0.57751.1043-44.729649.236-10.0816
114.88594.42245.34657.94464.7557.22290.88140.0787-1.53490.2963-0.6750.86590.965-1.0116-0.20980.53730.0234-0.13660.8302-0.21840.9629-75.303946.9574-0.0348
122.99740.2128-0.33616.69572.09092.10840.07710.909-0.1583-0.32980.3124-0.54630.03890.3213-0.38950.38450.1134-0.22061.0996-0.17130.8063-67.694458.4242-5.4154
133.83440.4807-0.05653.96260.77251.7179-0.03981.2895-0.3733-0.8373-0.04450.5926-0.0397-0.16330.13840.55780.0968-0.2111.2097-0.20170.7651-72.878555.4314-12.8032
143.03680.4571.23498.475-0.75255.7719-0.08030.42930.5515-0.49910.44710.7213-0.4334-0.8667-0.47990.53050.1519-0.18131.2595-0.12580.9959-81.087165.2878-7.1463
151.83020.32450.50485.0872.50443.14140.22690.5716-0.296-0.107-0.22880.31410.353-0.0176-0.00420.47650.1193-0.1571.0141-0.19680.8645-73.33354.005-5.9488
169.4107-6.97595.04367.5446-7.34358.2120.04860.8156-1.7721-0.73260.4684-0.72892.2471-0.4695-0.27721.78680.289-0.36681.2321-0.88032.2922-75.32221.7427-23.2524
173.494-3.3436-1.78425.46711.14432.55440.55781.441-1.6712-1.6986-0.0893-0.9470.5057-0.4283-0.13651.4370.1096-0.33431.4992-1.00311.9051-69.058123.9016-22.4618
181.28960.5171-0.12211.68530.21941.70650.4050.911-0.6886-0.3698-0.2548-0.72050.67840.071-0.15260.78780.2733-0.24281.1615-0.47731.1611-64.07644.6809-10.0125
199.18094.67790.39024.86931.10813.32410.38420.14681.0940.0243-0.14310.1076-0.54780.266-0.23020.5915-0.007-0.01090.55510.25480.8597-41.999394.23179.592
208.3297.3916-4.97716.874-4.63754.13820.35390.06581.54070.31230.07840.8551-0.71260.2028-0.47350.5812-0.0251-0.04420.57350.14161.1654-45.622895.788418.1905
213.18441.8492-2.49771.3985-0.69423.51250.06410.48150.1401-0.09650.64691.29080.9683-1.9001-0.80320.9528-0.2067-0.15931.65640.18521.5403-83.376763.759838.735
227.014-3.83155.42294.2771-1.22685.5718-0.283-0.9916-0.307-0.8997-0.30990.2854-0.77210.64770.25731.330.2986-0.08831.70250.18141.4354-77.846567.437541.4447
236.86141.41853.0265.5108-0.12735.48150.2118-0.07641.030.7161-0.07091.6793-0.6272-1.3426-0.10621.2240.24830.33881.25160.00521.9383-81.881374.362749.9779
246.19893.90033.37475.7694.94414.2091-0.6020.77031.2807-0.69850.35210.0633-0.94790.29050.30380.82740.0351-0.01670.90810.50641.1524-46.950697.5452-1.4147
254.92741.53761.41627.40424.23435.1005-0.3550.9829-0.0513-1.3180.074-0.0158-0.36040.0850.26960.50420.0276-0.0711.06880.21680.4188-42.180781.8192-5.9959
265.1961-1.09632.35733.99290.94622.7065-0.18241.00580.1228-0.73440.0953-0.0644-0.24610.53120.15010.53590.02220.05170.958-0.02040.3733-35.818371.6821-3.2052
276.18084.34555.68387.20532.93845.5094-2.14072.24661.047-0.70261.4235-0.3591-0.2671.53721.02571.3014-0.33160.15291.6998-0.03391.7397-14.439582.8447-0.4596
289.61025.8297-0.8798.0558-0.22075.2678-0.6120.96310.5796-0.81890.2364-0.1216-0.35660.55050.39440.5038-0.0299-0.02980.54730.20640.5307-46.908385.21350.5461
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 22 )
2X-RAY DIFFRACTION2chain 'A' and (resid 23 through 78 )
3X-RAY DIFFRACTION3chain 'A' and (resid 79 through 107 )
4X-RAY DIFFRACTION4chain 'A' and (resid 108 through 149 )
5X-RAY DIFFRACTION5chain 'A' and (resid 150 through 215 )
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 57 )
7X-RAY DIFFRACTION7chain 'B' and (resid 58 through 67 )
8X-RAY DIFFRACTION8chain 'B' and (resid 68 through 78 )
9X-RAY DIFFRACTION9chain 'B' and (resid 79 through 148 )
10X-RAY DIFFRACTION10chain 'B' and (resid 149 through 160 )
11X-RAY DIFFRACTION11chain 'C' and (resid 1 through 20 )
12X-RAY DIFFRACTION12chain 'C' and (resid 21 through 44 )
13X-RAY DIFFRACTION13chain 'C' and (resid 45 through 86 )
14X-RAY DIFFRACTION14chain 'C' and (resid 87 through 112 )
15X-RAY DIFFRACTION15chain 'C' and (resid 113 through 175 )
16X-RAY DIFFRACTION16chain 'C' and (resid 176 through 197 )
17X-RAY DIFFRACTION17chain 'C' and (resid 198 through 222 )
18X-RAY DIFFRACTION18chain 'C' and (resid 223 through 251 )
19X-RAY DIFFRACTION19chain 'C' and (resid 252 through 289 )
20X-RAY DIFFRACTION20chain 'D' and (resid 9 through 42 )
21X-RAY DIFFRACTION21chain 'D' and (resid 43 through 78 )
22X-RAY DIFFRACTION22chain 'D' and (resid 79 through 87 )
23X-RAY DIFFRACTION23chain 'D' and (resid 88 through 179 )
24X-RAY DIFFRACTION24chain 'E' and (resid 1 through 31 )
25X-RAY DIFFRACTION25chain 'F' and (resid 1 through 32 )
26X-RAY DIFFRACTION26chain 'G' and (resid 1 through 30 )
27X-RAY DIFFRACTION27chain 'G' and (resid 31 through 37 )
28X-RAY DIFFRACTION28chain 'H' and (resid 1 through 29 )

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