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- PDB-4q66: Structure of Exomer bound to Arf1. -

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Basic information

Entry
Database: PDB / ID: 4q66
TitleStructure of Exomer bound to Arf1.
Components
  • ADP-ribosylation factor 1
  • Chs5p
  • Protein BCH1
KeywordsPROTEIN TRANSPORT / Cargo adaptor / secretory vesicle / small GTP-ase Arf1-binding / trans-Golgi Network
Function / homology
Function and homology information


exomer complex / Synthesis of PIPs at the plasma membrane / VxPx cargo-targeting to cilium / Synthesis of PIPs at the Golgi membrane / protein localization to Golgi membrane / regulation of Golgi organization / chitin biosynthetic process / trans-Golgi Network Vesicle Budding / organelle membrane contact site / Intra-Golgi traffic ...exomer complex / Synthesis of PIPs at the plasma membrane / VxPx cargo-targeting to cilium / Synthesis of PIPs at the Golgi membrane / protein localization to Golgi membrane / regulation of Golgi organization / chitin biosynthetic process / trans-Golgi Network Vesicle Budding / organelle membrane contact site / Intra-Golgi traffic / Golgi vesicle transport / COPI-dependent Golgi-to-ER retrograde traffic / COPI-mediated anterograde transport / positive regulation of mitochondrial fusion / regulation of fatty acid metabolic process / Golgi to plasma membrane transport / positive regulation of mitochondrial fission / endoplasmic reticulum to Golgi vesicle-mediated transport / vesicle-mediated transport / small monomeric GTPase / macroautophagy / intracellular protein transport / small GTPase binding / protein transport / GTPase activity / GTP binding / Golgi apparatus / membrane / plasma membrane / cytosol / cytoplasm
Similarity search - Function
OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #50 / Chs5p-Arf1p binding / ChAPs (Chs5p-Arf1p-binding proteins) / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / ADP-ribosylation factor 1-5 / Small GTPase superfamily, ARF type / Small GTPase Arf domain profile. / Sar1p-like members of the Ras-family of small GTPases / Small GTPase superfamily, ARF/SAR type / ADP-ribosylation factor family ...OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #50 / Chs5p-Arf1p binding / ChAPs (Chs5p-Arf1p-binding proteins) / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / ADP-ribosylation factor 1-5 / Small GTPase superfamily, ARF type / Small GTPase Arf domain profile. / Sar1p-like members of the Ras-family of small GTPases / Small GTPase superfamily, ARF/SAR type / ADP-ribosylation factor family / ARF-like small GTPases; ARF, ADP-ribosylation factor / Other non-globular / Special / Rab subfamily of small GTPases / Small GTP-binding protein domain / Tetratricopeptide-like helical domain superfamily / P-loop containing nucleotide triphosphate hydrolases / Immunoglobulins / Immunoglobulin-like / Sandwich / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / ADP-ribosylation factor 1 / Protein BCH1 / :
Similarity search - Component
Biological speciesSaccharomyces cerevisiae R008 (yeast)
Saccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.354 Å
AuthorsPaczkowski, J.E. / Fromme, J.C.
CitationJournal: Dev.Cell / Year: 2014
Title: Structural basis for membrane binding and remodeling by the exomer secretory vesicle cargo adaptor.
Authors: Paczkowski, J.E. / Fromme, J.C.
History
DepositionApr 21, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 17, 2014Provider: repository / Type: Initial release
Revision 1.1Dec 31, 2014Group: Database references
Revision 1.2Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_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_label_asym_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: Chs5p
J: Chs5p
G: Chs5p
D: Chs5p
K: Protein BCH1
E: Protein BCH1
B: Protein BCH1
H: Protein BCH1
F: ADP-ribosylation factor 1
L: ADP-ribosylation factor 1
C: ADP-ribosylation factor 1
I: ADP-ribosylation factor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)581,63120
Polymers579,44512
Non-polymers2,1868
Water00
1
A: Chs5p
D: Chs5p
E: Protein BCH1
B: Protein BCH1
F: ADP-ribosylation factor 1
C: ADP-ribosylation factor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)290,81610
Polymers289,7236
Non-polymers1,0934
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
J: Chs5p
G: Chs5p
K: Protein BCH1
H: Protein BCH1
L: ADP-ribosylation factor 1
I: ADP-ribosylation factor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)290,81610
Polymers289,7236
Non-polymers1,0934
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)114.659, 208.168, 155.078
Angle α, β, γ (deg.)90.00, 105.48, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Chs5p / Protein CAL3


Mass: 41010.398 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae R008 (yeast) / Strain: ATCC 204508 / S288c / Gene: CAL3, Chs5, L8543.18, R008_L12446, YLR330W / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta 2 / References: UniProt: W7PD87
#2: Protein
Protein BCH1 / BUD7 and CHS6 homolog 1


Mass: 83972.320 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: ATCC 204508 / S288c / Gene: BCH1, YMR237W, YM9959.19 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta 2 / References: UniProt: Q05029
#3: Protein
ADP-ribosylation factor 1


Mass: 19878.592 Da / Num. of mol.: 4 / Fragment: delta N-17 Arf1, unp residues 18-181 / Mutation: Q71L
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Strain: ATCC 204508 / S288c / Gene: ARF1, YDL192W, D1244 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P11076
#4: Chemical
ChemComp-GNP / PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER


Mass: 522.196 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H17N6O13P3
Comment: GppNHp, GMPPNP, energy-carrying molecule analogue*YM
#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg

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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: 3.08 Å3/Da / Density % sol: 60.04 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: Exomer and Arf1 were mixed 2:1 in 200 mM NaCl, 50 mM Tris, 11% PEG 10000, 10% glycerol., pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.978 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Jul 2, 2012
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978 Å / Relative weight: 1
ReflectionResolution: 3.35→50 Å / Num. all: 97079 / Num. obs: 97079 / % possible obs: 98.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.7 % / Biso Wilson estimate: 100.36 Å2 / Rsym value: 0.086 / Net I/σ(I): 11.35
Reflection shellResolution: 3.35→3.41 Å / Redundancy: 2.6 % / Mean I/σ(I) obs: 1.45 / Rsym value: 0.7 / % possible all: 78

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
PHENIX(phenix.refine: 1.8.4_1496)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.354→43.169 Å / SU ML: 0.53 / σ(F): 1.34 / Phase error: 33.94 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3104 2555 2.63 %
Rwork0.2788 --
obs0.2796 97079 96.96 %
all-97079 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.354→43.169 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms26171 0 132 0 26303
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00226724
X-RAY DIFFRACTIONf_angle_d0.50136098
X-RAY DIFFRACTIONf_dihedral_angle_d9.6899843
X-RAY DIFFRACTIONf_chiral_restr0.0194283
X-RAY DIFFRACTIONf_plane_restr0.0024406
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3542-3.41870.3681150.33844198X-RAY DIFFRACTION78
3.4187-3.48840.35111410.32235253X-RAY DIFFRACTION98
3.4884-3.56420.38761430.32045278X-RAY DIFFRACTION98
3.5642-3.64710.33621440.31885287X-RAY DIFFRACTION98
3.6471-3.73820.36121460.31075298X-RAY DIFFRACTION98
3.7382-3.83930.38011410.30665315X-RAY DIFFRACTION98
3.8393-3.95220.32291420.29265334X-RAY DIFFRACTION99
3.9522-4.07960.35831450.28985345X-RAY DIFFRACTION98
4.0796-4.22530.31211440.27815355X-RAY DIFFRACTION99
4.2253-4.39430.29341440.25565317X-RAY DIFFRACTION99
4.3943-4.59410.30371410.24575327X-RAY DIFFRACTION99
4.5941-4.8360.27511460.23525359X-RAY DIFFRACTION99
4.836-5.13860.24741440.24375308X-RAY DIFFRACTION99
5.1386-5.53460.2931430.27035368X-RAY DIFFRACTION98
5.5346-6.09020.33571430.29935321X-RAY DIFFRACTION98
6.0902-6.96820.3021420.30145317X-RAY DIFFRACTION98
6.9682-8.76720.31881490.27675318X-RAY DIFFRACTION98
8.7672-43.17260.28411420.2715226X-RAY DIFFRACTION95
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)
14.1321-6.04391.44548.3973-2.1820.4557-0.7299-0.4773-0.11851.2530.62370.0425-0.2759-0.15380.03540.82560.1409-0.08830.8556-0.07480.8656-23.4158-34.7295143.5694
26.3092-3.1052.71044.3704-5.31586.9232-0.33840.0219-0.30390.1443-0.14930.4642-0.7727-0.43720.40810.58270.1177-0.05410.78690.01810.96721.434-72.3774147.8793
39.18241.7142-4.87121.9211-2.58015.9034-0.51120.013-0.50510.1660.24250.55930.52020.37750.31250.85530.11840.41350.84820.31381.2441-4.2298-97.6712161.0282
41.06740.8640.57692.8671-2.72475.2284-0.0157-0.0381-0.1803-0.58130.20510.32310.5234-0.4062-0.22030.7597-0.0459-0.04660.64810.04120.7094-38.429212.7927135.7421
55.5775-2.36971.93665.5711-1.38653.51980.7853-2.2016-1.1856-0.1648-0.5906-2.34960.9659-0.7202-1.01570.8455-0.3595-0.29130.70030.07920.5424-31.0825-8.3884166.8571
66.3773-2.43190.23995.5906-4.11443.66890.1607-1.0586-0.94960.27740.1912-0.2062-0.19890.3898-0.44990.8085-0.0424-0.231.06150.18241.1119-24.1196-7.1563179.4604
72.7337-4.32130.93029.2984-3.91227.5501-0.116-0.30160.096-0.06580.35580.1343-0.0075-0.6723-0.28030.6954-0.2973-0.09781.0616-0.02230.7782-41.952221.5384127.4814
84.78325.3803-4.66916.0009-5.2374.5542-0.5165-0.42070.1137-0.2012-0.4063-1.2248-1.2739-1.27080.99881.6135-0.4421-0.26041.13380.2830.93-42.105637.481999.3067
97.35515.2296-3.61814.9496-1.04093.5742-0.20090.72620.2755-0.11261.3570.02710.0302-1.0225-0.97080.8742-0.1686-0.08520.84670.0420.3964-34.781471.246183.7922
103.68543.7514-4.13294.1115-4.98157.03770.6245-0.7846-0.39730.6297-0.17410.1926-0.389-0.1787-0.44450.995-0.2216-0.08751.30420.25110.915-31.370480.211888.0857
115.9441-0.4476-0.40092.9623-2.79652.74731.04380.5063-1.44651.0524-0.76540.0494-0.63020.702-0.0451.1019-0.01460.050.85670.13911.0036-26.203574.925283.1517
122.7777-0.11113.08513.05182.70586.0224-0.89342.00220.8355-1.18641.45091.7118-1.4113-0.1501-0.67891.4822-0.1386-0.43192.06220.78520.9917-37.029196.938375.2458
132.8731-4.2282-0.79396.18821.0172.10840.28041.0253-1.04380.55270.13920.2126-1.2848-1.3472-0.6361.18110.3324-0.03351.3657-0.29071.5484-47.463997.118579.0242
148.21233.28016.37582.41710.95217.59490.2298-1.4290.34360.7744-0.40421.8726-1.2542-3.3280.42271.44360.83340.38221.51920.28431.9883-44.2836101.40687.5389
157.4777-5.0316-1.29738.0343-1.46888.1648-0.0768-0.66930.56131.85820.1321-0.98120.06540.3505-0.09710.9752-0.0235-0.3490.6592-0.09850.7633-27.9567-21.3338138.0337
164.605-3.62754.82473.4309-3.98817.72190.85670.24580.6077-0.8722-1.13470.04920.2291-0.06090.33041.07940.5810.02250.93020.11681-60.68398.0129111.1227
174.1885-2.6702-3.1024.16384.09786.75890.1315-0.935-0.5488-1.3361-0.44590.7941-1.3665-1.0395-0.1351.10430.373-0.52110.81840.3050.9822-62.395410.346397.7967
184.4829-3.06992.24178.315-5.86084.1410.81770.8519-0.2647-0.495-0.44730.3092-0.2511-0.274-0.15191.24420.5099-0.04121.38230.08410.8197-68.62113.282688.6487
199.17641.3865-4.64137.3638-0.56312.36060.61872.53461.6671-0.76531.0065-0.7269-0.1993-0.6618-0.6472.1621.31180.08662.27190.12430.8931-69.768534.570172.2756
206.5717-0.04180.96443.40390.61833.297-0.06520.05961.16820.0140.1124-0.157-0.65880.2243-0.03960.6634-0.0044-0.13520.5719-0.08820.8746-13.361138.7693168.6574
210.89290.87990.26131.97780.53422.1182-0.14190.0414-0.09380.04760.113-0.3099-0.1518-0.17040.04490.4997-0.0428-0.17520.64270.00270.6421-24.467819.2342151.1844
222.16710.00420.39131.707-0.23692.1191-0.02820.038-0.3897-0.04360.0427-0.37740.06980.1714-0.020.4503-0.0877-0.07730.7389-0.06870.7541-5.95410.4468153.9407
232.4668-0.51540.14694.14353.07486.84280.1860.2247-0.3475-0.0945-0.23570.27810.9242-0.57030.16430.8281-0.1061-0.09830.6922-0.08580.5482-56.2665-25.845695.8153
240.5638-0.9127-0.48362.05150.39843.5070.096-0.1946-0.0652-0.01240.1136-0.33820.09050.2973-0.31590.51610.0428-0.01270.5885-0.14030.5686-35.1366-11.7428106.5063
254.4705-0.10060.79973.46920.97523.48080.22890.70670.5009-0.78-0.19050.2179-0.2557-0.0169-0.04310.88630.0120.03110.698-0.02130.5315-40.6829-5.280785.9568
264.2492-1.97170.67311.5652-1.00868.15430.25010.5310.91-0.2462-0.4938-0.2343-0.34570.65050.27850.91210.1910.09140.74780.11951.1256-0.9553-46.6288113.723
271.3752-0.0905-0.10042.09910.32632.2532-0.1664-0.050.35380.10680.02770.1153-0.04750.03230.07850.68740.0444-0.220.6478-0.08280.7427-18.8417-44.8316130.9074
285.7168-1.30280.13442.1386-0.35792.1279-0.27640.46860.0328-0.0070.0298-0.16330.940.30020.25781.0410.1461-0.16330.7364-0.02010.79-16.8262-66.9101122.9911
295.24052.66084.09011.64522.65143.9763-0.09280.1838-0.24880.5499-0.2207-0.8986-0.02920.28020.31581.3134-0.2789-0.151.09630.46731.564-16.280948.9825104.1811
303.79570.40750.74284.4516-0.06721.7002-0.3543-0.3778-0.02940.71120.03930.5263-0.33150.50870.35611.4697-0.2252-0.05080.93890.03430.6755-35.038952.3877123.7526
319.031-1.2555-0.68885.91092.446.05721.2252-0.09830.62742.0816-1.3163-1.5790.0283-0.69730.25581.8685-0.7151-0.70961.12110.53421.5436-17.233874.2874110.0498
326.2717-2.28644.26313.0947-1.34063.5564-0.7342-0.41330.77820.67010.8158-0.0641-0.3203-0.86710.23660.96140.40990.1561.50170.43730.6438-64.976812.462459.5592
332.6317-3.00120.66514.04120.87554.5641-0.9238-0.78140.1805-0.31720.90011.14773.017-0.5188-0.10111.5146-0.1259-0.65891.56270.33931.1204-67.63535.568759.6912
347.114-0.5533-1.85522.06320.60934.31751.13120.2904-1.8238-0.50041.96232.14192.3842-0.0355-2.38071.05790.1132-0.35281.03720.21420.821-63.1529.298558.7699
353.07282.7507-3.43093.2738-1.02799.22480.1657-0.5603-0.5880.2910.2003-1.88921.43830.927-0.2891.17740.4506-0.43611.35330.02521.3428-53.6315.43561.6522
362.9783.53563.38175.30756.75252.00440.3968-1.0860.36192.04110.57661.79990.382-4.9595-0.22931.38790.69440.26782.21520.85840.8212-61.747721.066265.9068
376.5485-3.0613-5.39676.06815.34998.5657-0.17230.82131.27250.20090.3794-1.36680.2932-0.9111-0.29571.1978-0.0049-0.45750.99070.38420.9832-53.389818.391770.0362
389.7971-5.9128-2.91189.6291-1.5883.14110.37351.424-1.1222-1.4086-1.3671-1.76584.22022.88381.29991.36770.43910.2091.1675-0.13060.9992-45.809711.569258.1917
392.4490.3732-3.03871.1460.62485.7670.1611-0.7825-0.3818-0.1647-0.25930.1787-0.6307-0.0257-0.47741.86930.65990.05591.53270.95250.5793-64.28524.905663.4761
408.16715.5747-0.97929.44842.27181.64640.4844-0.79570.32656.35793.09742.4213-0.72660.1872-2.93452.25610.1963-0.1421.67320.62360.882-55.867929.54965.7375
412.5266-0.5824.20141.8632-1.13397.0954-1.311.01411.57040.2120.4244-0.36-1.2564-0.1290.69491.47560.051-0.06591.05660.08350.91-59.150924.279457.6793
422.03341.87642.69772.32171.58724.9431-2.08292.50640.899-0.08081.6371-0.709-4.1368-2.8624-0.05721.47720.0565-0.03051.61390.62591.636-61.772220.515848.7703
433.15122.02550.98691.9290.22859.383-0.394-1.6135-0.74290.3171.061.4589-0.0666-1.6184-0.72250.75660.3464-0.05541.26340.70081.54210.7755-6.2977195.4599
443.3844-0.66243.64392.35650.31029.8383-1.68420.76080.91580.5238-0.7722-0.19890.4140.4540.280.90480.2141-0.14531.00550.83341.2686-1.68-1.0402193.9437
455.0446-0.51624.91475.3721.05455.36540.59431.2398-1.3282-0.47870.6236-0.10220.590.1674-1.61650.63330.2094-0.05381.16650.16720.90445.0006-3.5834185.9187
467.71135.7398-7.93124.6205-5.51558.7284-1.90440.6401-1.34-0.28810.91630.5280.4617-3.03650.72020.83780.0797-0.12731.39630.4051.7273-2.4445-14.5873181.3951
471.06731.30650.32778.3190.75243.52142.38292.26242.6527-1.49750.0375-0.1141-0.21932.4603-2.45340.973-0.0201-0.07841.54710.231.861413.3995-6.8449180.2681
487.21765.6185-4.85474.4395-4.25617.4694-0.37990.8112-1.70680.91260.3903-1.1459-0.53090.12490.15190.82940.0273-0.14560.97370.4751.42140.187-17.9884191.5369
494.3344-3.3472-1.83057.4772.47391.5690.1257-0.5203-1.96680.20350.783-0.21111.0816-0.1702-0.81451.15440.1259-0.51911.0530.35181.71337.3802-18.6459191.7278
507.23434.85712.47688.50015.28865.5159-0.63631.0797-0.7898-0.58650.50830.407-0.81470.7097-0.1320.50770.23760.10991.0409-0.07891.6476.589-98.011132.02
517.01255.1346-2.56924.547-0.94822.7911.19081.24980.1154-0.4621-1.0091-1.8787-0.88011.2621-0.97220.97310.0333-0.06991.6983-0.17291.121912.9724-95.7624130.4422
520.8863-1.4387-2.07966.34432.71615.0794-1.63490.92220.25670.14520.7261.620.8917-0.32880.85570.66850.28330.23771.3571-0.08561.2015.3424-97.1732125.2517
532.98412.147-0.1983.0726-0.22421.10861.78493.08941.3354-0.8640.7521.7487-1.79460.9267-2.73781.85890.58960.15861.76980.02641.1672-0.4164-86.4107125.8182
547.6884-2.11174.29525.1498-3.47666.04240.7119-0.6386-0.6828-0.5738-0.3421.1189-0.746-0.3618-0.95090.68990.4214-0.10871.102-0.42251.4714-2.4067-96.7478132.244
555.65145.47545.79848.9616.66596.82011.2855-1.6369-0.7035-2.1938-0.2424-2.0946-1.7708-1.1094-1.22680.6440.11570.26031.05820.05771.7289-8.2305-91.0145138.0691
568.24-1.8578-4.35924.9423-2.39474.8195-0.45051.6782-0.4493-1.0055-1.26860.9343-0.2434-1.23381.83180.6731-0.0372-0.40311.5122-0.6422.3071-8.3967-97.4759127.169
574.35322.50613.33523.0281-0.11795.1870.0645-2.4529-2.2051-0.25570.5961-0.32491.6415-1.8122-0.60540.68980.08090.02281.04980.20411.57460.647-100.8254148.0132
589.4452-2.41141.66941.5705-0.07894.1431-0.2182-0.7449-2.73660.6995-1.01062.81511.0843-1.2591.4090.99770.20130.87221.4480.09592.8625-3.3223-104.7918139.5402
591.17830.77250.80032.16520.69993.58680.2463-0.2095-1.1071.42620.8487-1.89320.95550.6403-1.01431.25260.43520.45010.88590.36343.26561.2113-111.68130.0513
606.62945.4888-5.05784.8306-4.47014.1368-1.21240.0781-1.7915-1.87650.395-2.4242-1.81020.9420.28251.4389-0.67180.17561.6076-0.13680.8769-14.2405102.701391.9664
618.90892.83432.79843.87154.07774.52041.0720.1575-0.37690.16280.76610.0942-0.3238-1.9336-1.87131.3972-0.3513-0.16651.35640.15790.6576-13.411495.779188.8257
622.51611.25883.10328.66033.41054.26410.9657-1.9471-2.87992.03650.67110.59031.3223-1.4602-1.73871.37690.0796-0.39791.190.75381.753-13.324493.153103.5725
633.0842-3.4642.37695.4575-0.64554.4580.0862-0.299-2.03432.4477-1.22460.551.72151.04390.74411.8994-0.55480.35161.65380.40361.4951-23.7904100.6942100.2635
642.660.74372.53077.35312.21292.68820.4082-1.02290.31650.2659-1.37751.8375-0.5301-1.88470.751.159-0.07940.11651.3308-0.20651.7596-27.7728104.864197.1141
655.9477-2.0231.52937.27434.55244.3105-0.1833-0.3374-0.0794-0.36040.1289-0.7273-1.1745-1.12610.39380.9045-0.0939-0.16370.87040.45541.058-20.7123112.023390.3571
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 98 )
2X-RAY DIFFRACTION2chain 'A' and (resid 99 through 164 )
3X-RAY DIFFRACTION3chain 'A' and (resid 165 through 276 )
4X-RAY DIFFRACTION4chain 'J' and (resid 4 through 97 )
5X-RAY DIFFRACTION5chain 'J' and (resid 98 through 107 )
6X-RAY DIFFRACTION6chain 'J' and (resid 108 through 166 )
7X-RAY DIFFRACTION7chain 'G' and (resid 3 through 52 )
8X-RAY DIFFRACTION8chain 'G' and (resid 53 through 73 )
9X-RAY DIFFRACTION9chain 'G' and (resid 74 through 89 )
10X-RAY DIFFRACTION10chain 'G' and (resid 90 through 141 )
11X-RAY DIFFRACTION11chain 'G' and (resid 142 through 164 )
12X-RAY DIFFRACTION12chain 'G' and (resid 165 through 188 )
13X-RAY DIFFRACTION13chain 'G' and (resid 189 through 228 )
14X-RAY DIFFRACTION14chain 'G' and (resid 229 through 247 )
15X-RAY DIFFRACTION15chain 'D' and (resid 4 through 52 )
16X-RAY DIFFRACTION16chain 'D' and (resid 53 through 98 )
17X-RAY DIFFRACTION17chain 'D' and (resid 99 through 114 )
18X-RAY DIFFRACTION18chain 'D' and (resid 115 through 164 )
19X-RAY DIFFRACTION19chain 'D' and (resid 165 through 264 )
20X-RAY DIFFRACTION20chain 'K' and (resid 3 through 243 )
21X-RAY DIFFRACTION21chain 'K' and (resid 244 through 491 )
22X-RAY DIFFRACTION22chain 'K' and (resid 492 through 722 )
23X-RAY DIFFRACTION23chain 'E' and (resid 2 through 344 )
24X-RAY DIFFRACTION24chain 'E' and (resid 345 through 538 )
25X-RAY DIFFRACTION25chain 'E' and (resid 539 through 722 )
26X-RAY DIFFRACTION26chain 'B' and (resid 3 through 284 )
27X-RAY DIFFRACTION27chain 'B' and (resid 285 through 538 )
28X-RAY DIFFRACTION28chain 'B' and (resid 539 through 721 )
29X-RAY DIFFRACTION29chain 'H' and (resid 189 through 361 )
30X-RAY DIFFRACTION30chain 'H' and (resid 362 through 607 )
31X-RAY DIFFRACTION31chain 'H' and (resid 608 through 721 )
32X-RAY DIFFRACTION32chain 'F' and (resid 18 through 37 )
33X-RAY DIFFRACTION33chain 'F' and (resid 38 through 56 )
34X-RAY DIFFRACTION34chain 'F' and (resid 57 through 74 )
35X-RAY DIFFRACTION35chain 'F' and (resid 75 through 86 )
36X-RAY DIFFRACTION36chain 'F' and (resid 87 through 97 )
37X-RAY DIFFRACTION37chain 'F' and (resid 98 through 110 )
38X-RAY DIFFRACTION38chain 'F' and (resid 111 through 119 )
39X-RAY DIFFRACTION39chain 'F' and (resid 120 through 135 )
40X-RAY DIFFRACTION40chain 'F' and (resid 136 through 143 )
41X-RAY DIFFRACTION41chain 'F' and (resid 144 through 165 )
42X-RAY DIFFRACTION42chain 'F' and (resid 166 through 176 )
43X-RAY DIFFRACTION43chain 'L' and (resid 18 through 38 )
44X-RAY DIFFRACTION44chain 'L' and (resid 39 through 74 )
45X-RAY DIFFRACTION45chain 'L' and (resid 75 through 93 )
46X-RAY DIFFRACTION46chain 'L' and (resid 94 through 110 )
47X-RAY DIFFRACTION47chain 'L' and (resid 111 through 119 )
48X-RAY DIFFRACTION48chain 'L' and (resid 120 through 135 )
49X-RAY DIFFRACTION49chain 'L' and (resid 136 through 176 )
50X-RAY DIFFRACTION50chain 'C' and (resid 20 through 38 )
51X-RAY DIFFRACTION51chain 'C' and (resid 39 through 56 )
52X-RAY DIFFRACTION52chain 'C' and (resid 62 through 71 )
53X-RAY DIFFRACTION53chain 'C' and (resid 72 through 81 )
54X-RAY DIFFRACTION54chain 'C' and (resid 82 through 97 )
55X-RAY DIFFRACTION55chain 'C' and (resid 98 through 107 )
56X-RAY DIFFRACTION56chain 'C' and (resid 108 through 126 )
57X-RAY DIFFRACTION57chain 'C' and (resid 127 through 135 )
58X-RAY DIFFRACTION58chain 'C' and (resid 136 through 166 )
59X-RAY DIFFRACTION59chain 'C' and (resid 167 through 174 )
60X-RAY DIFFRACTION60chain 'I' and (resid 21 through 38 )
61X-RAY DIFFRACTION61chain 'I' and (resid 39 through 73 )
62X-RAY DIFFRACTION62chain 'I' and (resid 74 through 81 )
63X-RAY DIFFRACTION63chain 'I' and (resid 82 through 108 )
64X-RAY DIFFRACTION64chain 'I' and (resid 109 through 143 )
65X-RAY DIFFRACTION65chain 'I' and (resid 144 through 169 )

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