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- PDB-4l6v: Crystal structure of a virus like photosystem I from the cyanobac... -

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Basic information

Entry
Database: PDB / ID: 4l6v
TitleCrystal structure of a virus like photosystem I from the cyanobacterium Synechocystis PCC 6803
Components
  • (Photosystem I P700 chlorophyll a apoprotein ...) x 2
  • (Photosystem I reaction center subunit ...) x 4
  • (Photosystem I subunit ...) x 2
  • Fusion protein of Photosystem I subunit III and subunit IX
  • Photosystem I iron-sulfur center
KeywordsELECTRON TRANSPORT / photosynthetic reaction center / membrane complex / plastocyanin / cytochrome C6 / Ferredoxin
Function / homology
Function and homology information


plasma membrane-derived photosystem I / thylakoid membrane / photosystem I reaction center / photosystem I / photosynthetic electron transport in photosystem I / photosystem I / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthesis / 4 iron, 4 sulfur cluster binding ...plasma membrane-derived photosystem I / thylakoid membrane / photosystem I reaction center / photosystem I / photosynthetic electron transport in photosystem I / photosystem I / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthesis / 4 iron, 4 sulfur cluster binding / electron transfer activity / membrane => GO:0016020 / magnesium ion binding / metal ion binding
Similarity search - Function
Photosystem 1 Reaction Centre Subunit Xi; Chain: L; / Photosystem I PsaL, reaction centre subunit XI / Photosystem I, reaction centre, subunit PsaF / Photosystem I p700 chlorophyll A apoprotein A1 / Photosystem I PsaA/PsaB / Photosystem 1 Reaction Centre Subunit Ii; Chain: D; / Photosystem I PsaD, reaction center subunit II / Photosystem I reaction center subunit PsaK / Photosystem I reaction centre subunit PsaK / Photosystem I PsaM, reaction centre superfamily ...Photosystem 1 Reaction Centre Subunit Xi; Chain: L; / Photosystem I PsaL, reaction centre subunit XI / Photosystem I, reaction centre, subunit PsaF / Photosystem I p700 chlorophyll A apoprotein A1 / Photosystem I PsaA/PsaB / Photosystem 1 Reaction Centre Subunit Ii; Chain: D; / Photosystem I PsaD, reaction center subunit II / Photosystem I reaction center subunit PsaK / Photosystem I reaction centre subunit PsaK / Photosystem I PsaM, reaction centre superfamily / SH3 type barrels. - #50 / Photosystem I PsaM, reaction centre / Photosystem I protein M (PsaM) / Photosystem I reaction centre subunit PsaK superfamily / Photosystem I psaG and psaK proteins signature. / Photosystem I reaction center subunit V/PsaK / Photosystem I psaG / psaK / Photosystem I PsaL, reaction centre subunit XI / Photosystem I, reaction centre subunit XI / Photosystem I PsaL, reaction centre subunit XI superfamily / Photosystem I reaction centre subunit XI / Photosystem I reaction centre subunit VIII / Photosystem I reaction centre subunit VIII / Photosystem I reaction centre subunit VIII superfamily / Photosystem I PsaF, reaction centre subunit III / Photosystem I PsaF, reaction centre subunit III superfamily / Photosystem I reaction centre subunit III / Photosystem I PsaJ, reaction centre subunit IX / Photosystem I PsaD / Photosystem I PsaJ, reaction centre subunit IX superfamily / Photosystem I, reaction centre subunit PsaD superfamily / Photosystem I reaction centre subunit IX / PsaJ / PsaD / Photosystem I PsaE, reaction centre subunit IV / Photosystem I reaction centre subunit IV / PsaE / Alpha-Beta Plaits - #20 / Photosystem I protein PsaC / Photosystem I PsaA / Photosystem I PsaB / Photosystem I PsaA/PsaB, conserved site / Photosystem I psaA and psaB proteins signature. / Photosystem I PsaA/PsaB / Photosystem I PsaA/PsaB superfamily / Photosystem I psaA/psaB protein / Electron transport accessory-like domain superfamily / 4Fe-4S dicluster domain / 4Fe-4S ferredoxin, iron-sulphur binding, conserved site / 4Fe-4S ferredoxin-type iron-sulfur binding region signature. / Helicase, Ruva Protein; domain 3 / 4Fe-4S ferredoxin-type iron-sulfur binding domain profile. / 4Fe-4S ferredoxin-type, iron-sulphur binding domain / SH3 type barrels. / Roll / Alpha-Beta Plaits / Up-down Bundle / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
BETA-CAROTENE / CHLOROPHYLL A / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE / PHYLLOQUINONE / IRON/SULFUR CLUSTER / Photosystem I reaction center subunit XII / Photosystem I subunit II / Photosystem I P700 chlorophyll a apoprotein A1 / Photosystem I P700 chlorophyll a apoprotein A2 ...BETA-CAROTENE / CHLOROPHYLL A / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE / PHYLLOQUINONE / IRON/SULFUR CLUSTER / Photosystem I reaction center subunit XII / Photosystem I subunit II / Photosystem I P700 chlorophyll a apoprotein A1 / Photosystem I P700 chlorophyll a apoprotein A2 / Photosystem I subunit III / Photosystem I reaction center subunit VIII / Photosystem I subunit X / Photosystem I reaction center protein subunitXI / Photosystem I reaction center subunit IV / Photosystem I subunit VII / Photosystem I reaction center subunit IV / Photosystem I reaction center subunit II / Photosystem I P700 chlorophyll a apoprotein A1 / Photosystem I P700 chlorophyll a apoprotein A2 / Photosystem I iron-sulfur center / Photosystem I reaction center subunit XI / Photosystem I reaction center subunit XII / Photosystem I reaction center subunit PsaK 2 / Photosystem I reaction center subunit IX / Photosystem I reaction center subunit VIII
Similarity search - Component
Biological speciesSynechocystis sp. PCC 6803 (bacteria)
Bacillus subtilis BEST7613 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.8 Å
AuthorsMazor, Y. / Nataf, D. / Toporik, H. / Nelson, N.
CitationJournal: Elife / Year: 2014
Title: Crystal structures of virus-like photosystem I complexes from the mesophilic cyanobacterium Synechocystis PCC 6803.
Authors: Mazor, Y. / Nataf, D. / Toporik, H. / Nelson, N.
History
DepositionJun 13, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 5, 2014Provider: repository / Type: Initial release
Revision 1.1May 7, 2014Group: Database references
Revision 1.2Jul 26, 2017Group: Refinement description / Source and taxonomy / Category: entity_src_gen / software
Revision 1.3Jul 17, 2019Group: Data collection / Refinement description / Category: software
Item: _software.classification / _software.name / _software.version
Revision 2.0Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Non-polymer description / Refinement description
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / pdbx_validate_chiral / struct_conn / struct_ref_seq_dif / struct_site
Item: _chem_comp.formula / _database_2.pdbx_DOI ..._chem_comp.formula / _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.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_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
Revision 2.1Mar 13, 2024Group: Source and taxonomy / Category: entity_src_gen

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Photosystem I P700 chlorophyll a apoprotein A1
B: Photosystem I P700 chlorophyll a apoprotein A2
C: Photosystem I iron-sulfur center
D: Photosystem I subunit II
E: Photosystem I reaction center subunit IV
F: Fusion protein of Photosystem I subunit III and subunit IX
L: Photosystem I reaction center subunit XI
M: Photosystem I reaction center subunit XII
a: Photosystem I P700 chlorophyll a apoprotein A1
b: Photosystem I P700 chlorophyll a apoprotein A2
c: Photosystem I iron-sulfur center
d: Photosystem I subunit II
e: Photosystem I reaction center subunit IV
f: Fusion protein of Photosystem I subunit III and subunit IX
i: Photosystem I subunit III
l: Photosystem I reaction center subunit XI
m: Photosystem I reaction center subunit XII
1: Photosystem I P700 chlorophyll a apoprotein A1
2: Photosystem I P700 chlorophyll a apoprotein A2
3: Photosystem I iron-sulfur center
4: Photosystem I subunit II
5: Photosystem I reaction center subunit IV
6: Fusion protein of Photosystem I subunit III and subunit IX
9: Photosystem I subunit III
8: Photosystem I reaction center subunit XI
7: Photosystem I reaction center subunit XII
K: Photosystem I reaction center subunit VIII
I: Photosystem I subunit III
k: Photosystem I reaction center subunit VIII
0: Photosystem I reaction center subunit VIII
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,036,491387
Polymers747,23030
Non-polymers289,261357
Water0
1
A: Photosystem I P700 chlorophyll a apoprotein A1
B: Photosystem I P700 chlorophyll a apoprotein A2
C: Photosystem I iron-sulfur center
D: Photosystem I subunit II
E: Photosystem I reaction center subunit IV
F: Fusion protein of Photosystem I subunit III and subunit IX
L: Photosystem I reaction center subunit XI
M: Photosystem I reaction center subunit XII
K: Photosystem I reaction center subunit VIII
I: Photosystem I subunit III
hetero molecules


Theoretical massNumber of molelcules
Total (without water)345,497129
Polymers249,07710
Non-polymers96,420119
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
a: Photosystem I P700 chlorophyll a apoprotein A1
b: Photosystem I P700 chlorophyll a apoprotein A2
c: Photosystem I iron-sulfur center
d: Photosystem I subunit II
e: Photosystem I reaction center subunit IV
f: Fusion protein of Photosystem I subunit III and subunit IX
i: Photosystem I subunit III
l: Photosystem I reaction center subunit XI
m: Photosystem I reaction center subunit XII
k: Photosystem I reaction center subunit VIII
hetero molecules


Theoretical massNumber of molelcules
Total (without water)345,497129
Polymers249,07710
Non-polymers96,420119
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
1: Photosystem I P700 chlorophyll a apoprotein A1
2: Photosystem I P700 chlorophyll a apoprotein A2
3: Photosystem I iron-sulfur center
4: Photosystem I subunit II
5: Photosystem I reaction center subunit IV
6: Fusion protein of Photosystem I subunit III and subunit IX
9: Photosystem I subunit III
8: Photosystem I reaction center subunit XI
7: Photosystem I reaction center subunit XII
0: Photosystem I reaction center subunit VIII
hetero molecules


Theoretical massNumber of molelcules
Total (without water)345,497129
Polymers249,07710
Non-polymers96,420119
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)214.619, 133.680, 219.846
Angle α, β, γ (deg.)90.00, 111.14, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Photosystem I P700 chlorophyll a apoprotein ... , 2 types, 6 molecules Aa1Bb2

#1: Protein Photosystem I P700 chlorophyll a apoprotein A1 / / PsaA


Mass: 83036.398 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaA, BEST7613_2234, MYO_18690 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8AHT3, UniProt: P29254*PLUS, photosystem I
#2: Protein Photosystem I P700 chlorophyll a apoprotein A2 / / PsaB


Mass: 81369.531 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaB, BEST7613_2235, MYO_18700 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8AIC0, UniProt: P29255*PLUS, photosystem I

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Protein , 2 types, 6 molecules Cc3Ff6

#3: Protein Photosystem I iron-sulfur center / / 9 kDa polypeptide / PSI-C / Photosystem I subunit VII / PsaC


Mass: 8837.261 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaC, BEST7613_5694, MYO_120930 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8AST2, UniProt: P32422*PLUS, photosystem I
#6: Protein Fusion protein of Photosystem I subunit III and subunit IX / / PSI subunit V / PSI-L


Mass: 13855.387 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria), (gene. exp.) Bacillus subtilis BEST7613 (bacteria)
Gene: psaL, BEST7613_4425, MYO_131030, psaF,BEST7613_2928 / Production host: Synechocystis sp. PCC 6803 (bacteria) / References: UniProt: L8AII8, UniProt: Q55329, photosystem I

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Photosystem I subunit ... , 2 types, 6 molecules Dd4i9I

#4: Protein Photosystem I subunit II /


Mass: 15663.749 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaE, BEST7613_5968, MYO_118260 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8AFM8, UniProt: P19569*PLUS, photosystem I
#9: Protein/peptide Photosystem I subunit III /


Mass: 4414.148 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaI, BEST7613_4424, MYO_131040 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8AP84, UniProt: Q55330*PLUS, photosystem I

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Photosystem I reaction center subunit ... , 4 types, 12 molecules Ee5Ll8Mm7Kk0

#5: Protein Photosystem I reaction center subunit IV /


Mass: 8154.086 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaF, BEST7613_2928 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8ASH8, UniProt: P12975*PLUS, photosystem I
#7: Protein Photosystem I reaction center subunit XI / / PSI-M


Mass: 16631.795 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psbM, psaM, BEST7613_1787, MYO_14340 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8APN7, UniProt: P37277*PLUS, photosystem I
#8: Protein/peptide Photosystem I reaction center subunit XII /


Mass: 3382.063 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaF, BEST7613_2928 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8ADF9, UniProt: P72986*PLUS, photosystem I
#10: Protein Photosystem I reaction center subunit VIII /


Mass: 13732.274 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. PCC 6803 (bacteria) / Gene: psaD, BEST7613_1459, MYO_11100 / Production host: Synechocystis sp. PCC 6803 (bacteria)
References: UniProt: L8APJ0, UniProt: P74564*PLUS, photosystem I

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Non-polymers , 6 types, 357 molecules

#11: Chemical...
ChemComp-CLA / CHLOROPHYLL A / Photosystem I subunit X / Chlorophyll a


Mass: 893.489 Da / Num. of mol.: 273 / Source method: obtained synthetically / Formula: C55H72MgN4O5
#12: Chemical
ChemComp-PQN / PHYLLOQUINONE / VITAMIN K1 / 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE / Phytomenadione


Mass: 450.696 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C31H46O2
#13: Chemical
ChemComp-SF4 / IRON/SULFUR CLUSTER / Iron–sulfur cluster


Mass: 351.640 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Fe4S4
#14: Chemical...
ChemComp-BCR / BETA-CAROTENE / Β-Carotene


Mass: 536.873 Da / Num. of mol.: 57 / Source method: obtained synthetically / Formula: C40H56
#15: Chemical
ChemComp-LHG / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / Phosphatidylglycerol


Mass: 722.970 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C38H75O10P / Comment: phospholipid*YM
#16: Chemical ChemComp-LMG / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE


Mass: 787.158 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C45H86O10

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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: 3.94 Å3/Da / Density % sol: 68.76 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 30mM Tricine-NaOH, 90mM NaCl, 90mM MgCl2, 100mM Glycine, 0.005% nonyl beta maltoside., pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.97625 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Nov 3, 2011
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 3.8→30 Å / Num. all: 114480 / Num. obs: 113221 / % possible obs: 98.9 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 3.8 % / Biso Wilson estimate: 202 Å2 / Rmerge(I) obs: 0.116
Reflection shellResolution: 3.8→4 Å / Redundancy: 3.9 % / Rmerge(I) obs: 1.238 / Mean I/σ(I) obs: 1.2 / % possible all: 99.5

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Processing

Software
NameVersionClassification
PHENIX1.8.2-1309refinement
PHASERphasing
REFMAC5.7.0032refinement
XDSdata scaling
XDSdata reduction
SCALAdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4KT0

4kt0


Resolution: 3.8→29.996 Å / SU ML: 0.67 / σ(F): 1.33 / Phase error: 35.96 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2972 5477 5.02 %
Rwork0.2528 --
obs0.255 109176 95.44 %
all-109175 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 127.77 Å2
Refinement stepCycle: LAST / Resolution: 3.8→29.996 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms49764 0 18606 0 68370
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00472200
X-RAY DIFFRACTIONf_angle_d1.771102458
X-RAY DIFFRACTIONf_dihedral_angle_d28.62327473
X-RAY DIFFRACTIONf_chiral_restr0.1999065
X-RAY DIFFRACTIONf_plane_restr0.01212278
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.8-3.84310.45491850.41583341X-RAY DIFFRACTION93
3.8431-3.88820.41731600.40483430X-RAY DIFFRACTION94
3.8882-3.93550.44241630.39033369X-RAY DIFFRACTION94
3.9355-3.98520.42121820.38513408X-RAY DIFFRACTION95
3.9852-4.03760.36891730.37073408X-RAY DIFFRACTION95
4.0376-4.09270.41591810.36323430X-RAY DIFFRACTION95
4.0927-4.15110.38231900.34523473X-RAY DIFFRACTION95
4.1511-4.21290.39561850.3333429X-RAY DIFFRACTION95
4.2129-4.27850.38721850.33123406X-RAY DIFFRACTION95
4.2785-4.34850.3771930.3283374X-RAY DIFFRACTION94
4.3485-4.42320.33671750.31513355X-RAY DIFFRACTION93
4.4232-4.50340.33681650.29593275X-RAY DIFFRACTION90
4.5034-4.58970.27532030.28363280X-RAY DIFFRACTION91
4.5897-4.6830.35561670.27413447X-RAY DIFFRACTION96
4.683-4.78450.30341880.25653482X-RAY DIFFRACTION96
4.7845-4.89530.29692030.24973457X-RAY DIFFRACTION97
4.8953-5.01720.32571740.24313491X-RAY DIFFRACTION97
5.0172-5.15220.28671810.24483478X-RAY DIFFRACTION96
5.1522-5.3030.32122000.2493509X-RAY DIFFRACTION97
5.303-5.47320.29861910.25793523X-RAY DIFFRACTION97
5.4732-5.66750.33592000.2623499X-RAY DIFFRACTION97
5.6675-5.89280.31161790.25033531X-RAY DIFFRACTION97
5.8928-6.15880.31211720.25743560X-RAY DIFFRACTION97
6.1588-6.48040.35181780.25133495X-RAY DIFFRACTION96
6.4804-6.88180.32751660.24363335X-RAY DIFFRACTION93
6.8818-7.40580.27641850.21373576X-RAY DIFFRACTION97
7.4058-8.13750.23361770.19363557X-RAY DIFFRACTION98
8.1375-9.28440.19882080.16483561X-RAY DIFFRACTION98
9.2844-11.58420.17981850.15783588X-RAY DIFFRACTION97
11.5842-29.99720.27191830.23853632X-RAY DIFFRACTION96
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)
11.58680.01880.14051.2780.20610.7027-0.1336-0.3016-0.24220.58580.13410.23080.201-0.1501.27420.05890.1560.97090.12111.1907-9.4749-8.8416225.6864
2-0.0049-0.0081-0.0357-0.00020.02260.2683-0.02890.41450.4288-0.19280.0782-0.5038-0.55540.415701.2938-0.1347-0.17491.5441-0.1422.177253.42545.2271213.8921
31.8038-0.09880.07351.7691-0.17621.5544-0.0799-0.05720.49910.40170.09660.3449-0.1416-0.3904-01.18570.08840.12551.0948-0.03231.7564-16.059730.3857221.9165
40.68790.2694-0.06771.2593-0.17041.08040.0645-0.5681-0.47860.5381-0.1952-0.94850.43740.7397-01.670.4292-0.50732.29260.43222.2429-95.848-93.5217256.1976
50.0855-0.00330.12690.05120.02770.1764-0.82570.12050.042-0.72310.0044-0.1625-0.49230.3061-0.00052.3450.28771.01282.5004-0.21523.1146-75.5324-90.7573193.4481
60.3006-0.18690.08050.0058-0.0491-0.0082-0.1288-0.54520.15740.6042-0.0589-0.5422-0.8250.6301.8726-0.2587-0.65422.6729-0.06052.5405-86.6552-54.5966258.0298
71.29710.31450.18141.1157-0.20651.17910.3584-0.82530.2530.9727-0.27820.5028-0.1649-0.01830.00022.0613-0.23380.3211.5202-0.2541.192631.1806-74.6248271.9616
80.15050.135-0.06480.7044-0.02470.78240.2455-0.50450.86840.6797-0.07240.1044-0.7941-0.0089-02.8682-0.21770.37271.7433-0.62752.140240.421-35.7687274.892
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' or chain 'B' or chain 'M' or chain 'L' or chain 'I' or chain 'F'
2X-RAY DIFFRACTION2chain 'K'
3X-RAY DIFFRACTION3chain 'C' or chain 'D' or chain 'E'
4X-RAY DIFFRACTION4chain 'a' or chain 'b' or chain 'm' or chain 'l' or chain 'i' or chain 'f'
5X-RAY DIFFRACTION5chain 'k'
6X-RAY DIFFRACTION6chain 'c' or chain 'd' or chain 'e'
7X-RAY DIFFRACTION7chain '1' or chain '2' or chain '0' or chain '8' or chain '9' or chain '7' or chain '6'
8X-RAY DIFFRACTION8chain '3' or chain '4' or chain '5'

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