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- PDB-5knb: Crystal structure of the 2 ADP-bound V1 complex -

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Basic information

Entry
Database: PDB / ID: 5knb
TitleCrystal structure of the 2 ADP-bound V1 complex
Components
  • (V-type sodium ATPase subunit ...) x 3
  • V-type sodium ATPase catalytic subunit A
KeywordsHYDROLASE / P-loop / Na(+)-ATPase / ATP Binding
Function / homology
Function and homology information


Na+-transporting two-sector ATPase / sodium-transporting ATP synthase activity, rotational mechanism / sodium-transporting ATPase activity, rotational mechanism / vacuolar proton-transporting V-type ATPase complex / proton-transporting ATP synthase complex / vacuolar acidification / proton motive force-driven plasma membrane ATP synthesis / sodium ion transport / phagocytic vesicle / proton-transporting ATPase activity, rotational mechanism ...Na+-transporting two-sector ATPase / sodium-transporting ATP synthase activity, rotational mechanism / sodium-transporting ATPase activity, rotational mechanism / vacuolar proton-transporting V-type ATPase complex / proton-transporting ATP synthase complex / vacuolar acidification / proton motive force-driven plasma membrane ATP synthesis / sodium ion transport / phagocytic vesicle / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / lysosomal membrane / ATP binding
Similarity search - Function
ATPase, V1 complex, subunit F / Rossmann fold - #12240 / ATPase, V1 complex, subunit F, bacterial/archaeal / Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3 / Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3 / ATPase, V1 complex, subunit D / ATPase, V1 complex, subunit F / ATPase, V1 complex, subunit F superfamily / ATP synthase subunit D / ATP synthase (F/14-kDa) subunit ...ATPase, V1 complex, subunit F / Rossmann fold - #12240 / ATPase, V1 complex, subunit F, bacterial/archaeal / Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3 / Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3 / ATPase, V1 complex, subunit D / ATPase, V1 complex, subunit F / ATPase, V1 complex, subunit F superfamily / ATP synthase subunit D / ATP synthase (F/14-kDa) subunit / V-type ATP synthase regulatory subunit B/beta / V-type ATP synthase catalytic alpha chain / ATPsynthase alpha/beta subunit, N-terminal extension / ATPsynthase alpha/beta subunit N-term extension / RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain / ATPase, F1/V1 complex, beta/alpha subunit, C-terminal / ATP synthase subunit alpha, N-terminal domain-like superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain / ATP synthase alpha/beta family, beta-barrel domain / ATPase, alpha/beta subunit, nucleotide-binding domain, active site / ATP synthase alpha and beta subunits signature. / ATPase, F1/V1/A1 complex, alpha/beta subunit, nucleotide-binding domain / ATP synthase alpha/beta family, nucleotide-binding domain / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / P-loop containing nucleotide triphosphate hydrolases / Beta Barrel / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
ADENOSINE-5'-DIPHOSPHATE / V-type sodium ATPase subunit D / V-type sodium ATPase subunit G / V-type sodium ATPase catalytic subunit A / V-type sodium ATPase subunit B
Similarity search - Component
Biological speciesEnterococcus hirae ATCC 9790 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.251 Å
AuthorsSuzuki, K. / Mizutani, K. / Maruyama, S. / Shimono, K. / Imai, F.L. / Muneyuki, E. / Kakinuma, Y. / Ishizuka-Katsura, Y. / Shirouzu, M. / Yokoyama, S. ...Suzuki, K. / Mizutani, K. / Maruyama, S. / Shimono, K. / Imai, F.L. / Muneyuki, E. / Kakinuma, Y. / Ishizuka-Katsura, Y. / Shirouzu, M. / Yokoyama, S. / Yamato, I. / Murata, T.
CitationJournal: Nat Commun / Year: 2016
Title: Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Authors: Suzuki, K. / Mizutani, K. / Maruyama, S. / Shimono, K. / Imai, F.L. / Muneyuki, E. / Kakinuma, Y. / Ishizuka-Katsura, Y. / Shirouzu, M. / Yokoyama, S. / Yamato, I. / Murata, T.
History
DepositionJun 28, 2016Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Nov 2, 2016Provider: repository / Type: Initial release
Revision 1.1Nov 16, 2016Group: Database references
Revision 1.2Feb 19, 2020Group: Data collection / Derived calculations / Category: diffrn_source / pdbx_struct_oper_list
Item: _diffrn_source.pdbx_synchrotron_site / _pdbx_struct_oper_list.symmetry_operation
Revision 1.3Nov 8, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
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_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.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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: V-type sodium ATPase catalytic subunit A
B: V-type sodium ATPase catalytic subunit A
C: V-type sodium ATPase catalytic subunit A
D: V-type sodium ATPase subunit B
E: V-type sodium ATPase subunit B
F: V-type sodium ATPase subunit B
G: V-type sodium ATPase subunit D
H: V-type sodium ATPase subunit NtpG (F)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)393,10214
Polymers392,0148
Non-polymers1,0876
Water59433
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35960 Å2
ΔGint-149 kcal/mol
Surface area120770 Å2
MethodPISA
Unit cell
Length a, b, c (Å)127.350, 129.620, 237.210
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 1 types, 3 molecules ABC

#1: Protein V-type sodium ATPase catalytic subunit A / Na(+)-translocating ATPase subunit A / V-type sodium pump catalytic subunit A


Mass: 66347.797 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterococcus hirae ATCC 9790 (bacteria)
Strain: ATCC 9790 / Gene: ntpA / Production host: Escherichia coli (E. coli) / References: UniProt: Q08636, EC: 3.6.3.15

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V-type sodium ATPase subunit ... , 3 types, 5 molecules DEFGH

#2: Protein V-type sodium ATPase subunit B / Na(+)-translocating ATPase subunit B / V-type sodium pump subunit B


Mass: 51720.898 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterococcus hirae ATCC 9790 (bacteria)
Strain: ATCC 9790 / Gene: ntpB / Production host: Escherichia coli (E. coli) / References: UniProt: Q08637
#3: Protein V-type sodium ATPase subunit D / Na(+)-translocating ATPase subunit D / V-type sodium pump subunit D


Mass: 25119.043 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterococcus hirae ATCC 9790 (bacteria)
Strain: ATCC 9790 / Gene: ntpD / Production host: Escherichia coli (E. coli) / References: UniProt: P43435
#4: Protein V-type sodium ATPase subunit NtpG (F) / V-type sodium ATPase subunit G / Na(+)-translocating ATPase subunit G / V-type sodium pump subunit G


Mass: 12689.339 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterococcus hirae ATCC 9790 (bacteria)
Strain: ATCC 9790 / Gene: ntpG / Production host: Escherichia coli (E. coli) / References: UniProt: P43455

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Non-polymers , 4 types, 39 molecules

#5: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#6: Chemical ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Comment: ADP, energy-carrying molecule*YM
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 33 / 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: 1

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Sample preparation

CrystalDensity Matthews: 2.5 Å3/Da / Density % sol: 50.74 %
Crystal growTemperature: 296 K / Method: vapor diffusion, sitting drop / Details: PEG3350, sodium fluoride, Bis-tris propane

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-1A / Wavelength: 1.1 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Oct 30, 2013
RadiationMonochromator: Cryo-cooled channel-cut Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
Reflection twinOperator: k,h,-l / Fraction: 0.05
ReflectionResolution: 3.251→50 Å / Num. obs: 62128 / % possible obs: 99.4 % / Redundancy: 6.7 % / Net I/σ(I): 10.33
Reflection shellResolution: 3.251→3.45 Å / Redundancy: 6.6 % / Rmerge(I) obs: 1.064 / Mean I/σ(I) obs: 1.88 / % possible all: 97.2

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Processing

Software
NameVersionClassification
PHENIX(phenix.refine: 1.9_1692)refinement
XDSdata scaling
PHASER2.5.3phasing
PDB_EXTRACT3.15data extraction
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3VR4

3vr4


Resolution: 3.251→44.552 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 23.81
RfactorNum. reflection% reflectionSelection details
Rfree0.2447 3105 5 %RANDOM
Rwork0.2088 ---
obs0.2107 62103 99.41 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.251→44.552 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms25965 0 68 33 26066
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00326480
X-RAY DIFFRACTIONf_angle_d0.67335890
X-RAY DIFFRACTIONf_dihedral_angle_d14.4399854
X-RAY DIFFRACTIONf_chiral_restr0.0254092
X-RAY DIFFRACTIONf_plane_restr0.0034702
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2507-3.30150.37291230.32052356X-RAY DIFFRACTION90
3.3015-3.35560.35251410.30472672X-RAY DIFFRACTION100
3.3556-3.41340.34341400.27692672X-RAY DIFFRACTION100
3.4134-3.47550.30211400.27022653X-RAY DIFFRACTION100
3.4755-3.54230.29461400.25252663X-RAY DIFFRACTION100
3.5423-3.61460.27871400.24432661X-RAY DIFFRACTION100
3.6146-3.69310.25411410.2472675X-RAY DIFFRACTION100
3.6931-3.7790.28591410.23462675X-RAY DIFFRACTION100
3.779-3.87340.2771410.22922681X-RAY DIFFRACTION100
3.8734-3.97810.25011410.22282678X-RAY DIFFRACTION100
3.9781-4.09510.25591410.21112673X-RAY DIFFRACTION100
4.0951-4.22720.22421410.20212678X-RAY DIFFRACTION100
4.2272-4.37810.21781410.1872681X-RAY DIFFRACTION100
4.3781-4.55320.21571410.17332687X-RAY DIFFRACTION100
4.5532-4.76020.21081420.17422695X-RAY DIFFRACTION100
4.7602-5.01090.20471410.17692689X-RAY DIFFRACTION100
5.0109-5.32440.23441430.2012716X-RAY DIFFRACTION100
5.3244-5.73470.23371430.21462705X-RAY DIFFRACTION100
5.7347-6.31030.29651430.21852728X-RAY DIFFRACTION100
6.3103-7.22010.23951450.21022757X-RAY DIFFRACTION100
7.2201-9.08390.21521460.17122760X-RAY DIFFRACTION99
9.0839-44.55580.19581500.17692843X-RAY DIFFRACTION98
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)
11.5783-0.14421.09281.7137-0.11721.832-0.06930.2602-0.2784-0.27150.19550.16160.05720.0514-0.15390.6018-0.1690.03370.5803-0.14650.7338-58.0695-13.1478-1.3786
23.0370.2-0.16881.44260.09981.284-0.0027-0.1297-1.22020.1072-0.10950.14220.7234-0.06120.12360.7418-0.05560.010.382-0.02371.0661-34.9652-29.4155-3.0097
33.7004-0.6786-0.12193.24260.45732.18390.09990.1236-0.5240.2076-0.2692-0.06090.27050.13960.18040.4832-0.05450.01690.2682-0.02090.6434-27.228-17.1617-6.8005
42.9508-0.5299-0.38072.35430.29622.35830.26561.1463-0.5189-0.1057-0.2121-0.16940.31730.7298-0.10010.47820.0698-0.0780.8133-0.1770.7165-10.4953-22.0958-18.6766
53.5361-1.78731.88952.80450.53612.43070.27830.73010.8682-0.7641-0.6312-0.03660.179-0.26090.39110.78770.1807-0.00031.7283-0.07281.0177-2.0935-21.2062-35.7975
61.0289-0.44181.04581.22750.30821.5897-0.10410.4682-0.41350.03340.0669-0.15140.30470.74430.04590.63310.2267-0.03991.1727-0.43981.4103-2.1882-33.3382-23.8868
72.8225-0.4381-0.25280.55220.83651.3519-0.14371.0046-1.1365-0.456-0.0806-0.63660.46750.34550.28481.0730.293-0.1571.4958-0.59721.43064.2978-38.7089-29.1129
81.74451.0016-0.15530.715-0.3980.75910.2242-0.26140.47410.1812-0.11630.1347-0.0177-0.0462-0.13880.43510.02970.00080.3537-0.12460.383-41.149530.96022.9642
91.765-0.3834-0.3571.5094-0.15611.04260.1065-0.1520.93640.27480.0966-0.0149-0.5816-0.0445-0.19130.6233-0.02880.06190.3094-0.07260.7611-27.077747.6424-9.5536
101.9682-1.84590.84731.7285-0.54723.5109-0.07490.32440.6697-0.2098-0.0242-1.1536-0.2230.48890.11220.5215-0.08320.09230.4197-0.020.6979-13.829736.552-10.7968
112.9291-0.0661-1.05581.54520.3242.09520.03220.41480.2997-0.36590.0426-0.2301-0.23440.1683-0.07810.4821-0.04130.03870.30920.07150.4097-14.807631.0481-30.1037
121.6645-0.2320.94711.10990.84021.3640.20221.0814-0.1956-0.3244-0.33620.5348-0.0001-0.50120.13370.53040.0872-0.14241.2466-0.24050.5971-79.749114.0309-40.6974
130.39430.20170.51922.2920.22440.66440.04611.1702-0.87020.01520.08460.89010.31390.0099-0.00390.66160.0524-0.34171.8804-0.71080.5118-73.95181.3464-53.9652
141.64741.21140.65372.7780.42460.2441-0.05781.1089-0.0805-0.7588-0.15810.2017-0.2769-0.0760.23270.61450.1851-0.18631.5872-0.29640.668-67.432811.277-53.2878
151.08680.6243-0.14791.0593-0.14781.4579-0.17560.8769-0.5662-0.08820.2706-0.0060.24530.1002-0.06670.69080.0651-0.18631.2785-0.56490.788-56.53560.0457-47.4065
166.35542.87171.5223.4704-0.5471.2004-0.37020.402-1.1041-0.0164-0.1343-0.66610.40190.00720.24360.87460.07610.03642.1643-0.91491.0455-32.9364-4.4729-64.7662
171.13630.1378-0.32520.3912-0.07640.3491-0.38360.9011-0.535-0.54960.5264-0.4337-0.109-0.0126-0.13311.0415-0.0950.01082.7363-0.90891.0642-44.25530.2285-72.8674
180.88980.12270.04910.0125-0.00380.13240.32770.5669-0.1178-0.71610.345-0.4213-0.06620.2531-0.59411.2151-0.07790.05642.3268-0.41730.9883-37.46571.7994-81.4457
191.1494-0.77490.18621.698-0.56131.2701-0.14160.2813-0.5725-0.29570.07680.21590.1038-0.27990.06090.5495-0.10950.00710.6221-0.23950.793-74.7012-8.3471-19.0889
200.44340.09490.08491.0419-0.56341.45750.27630.777-1.05920.0728-0.20760.46620.393-0.3117-0.05061.018-0.2208-0.12811.0318-0.47371.3627-63.5047-29.7822-28.933
214.2798-1.97250.54611.72460.18291.75380.17010.1555-1.0029-0.27510.33490.0880.55010.0592-0.25070.82960.0527-0.13961.06-0.80111.1443-47.929-30.2354-42.4431
221.981-0.5378-0.72841.2131-0.27832.21020.00150.1541-0.05360.0143-0.0074-0.00770.3016-0.1041-0.00310.6707-0.025-0.19940.9989-0.57721.1589-52.4582-19.6962-35.0828
232.29420.7954-0.28862.4427-0.78372.14670.2362-0.03550.017-0.3157-0.0669-0.2650.29460.9559-0.22330.73260.1472-0.11361.1583-0.36411.0127-26.9931-28.3-48.9765
240.65450.4035-0.53420.7014-0.59991.0898-0.04030.2462-0.461-0.4755-0.1631-0.30120.6440.30440.14491.0730.2081-0.07611.1604-0.58611.2846-31.4313-33.7639-54.2263
252.5619-0.4816-0.86991.48710.10411.1823-0.3151-0.5659-0.13690.12330.16240.31030.1926-0.02260.14910.5601-0.0453-0.01230.42340.04510.4139-40.14853.047711.2822
262.9801-0.1363-1.42011.02360.64282.6158-0.0894-0.3934-0.28380.18340.0275-0.13510.27670.26030.08110.38180.0073-0.05170.271-0.01020.45-10.74278.48031.5236
273.08530.2946-0.00092.7410.372.4892-0.01820.0001-0.31340.07070.0447-0.14820.31620.0602-0.0360.3465-0.0277-00.2106-0.02360.3236-18.02744.9016-4.6028
284.06210.59020.08693.9034-2.11941.5887-0.19090.5401-0.6198-0.85550.2058-0.50860.37390.26-0.03610.5533-0.05490.14670.5657-0.25120.70457.363110.6195-19.8017
293.61350.20530.19461.73060.1791.86260.27090.0510.49070.0394-0.26420.2714-0.0236-0.1494-0.08950.4890.0348-0.00380.3998-0.06990.5805-63.185432.8233-14.0823
300.6517-0.1855-0.38060.2419-0.51092.0868-0.02460.3540.61050.0023-0.3782-0.24-0.8595-0.13930.29850.57220.14160.1010.55650.08960.7398-58.182440.8562-22.4095
311.2095-0.02140.39820.2440.01810.86220.17951.26950.664-0.3297-0.05010.0169-0.4352-0.2168-0.14220.79520.1416-0.03541.38840.2940.6432-54.388136.0749-45.9229
320.23710.1558-0.2041.24520.78471.886-0.13681.25250.7764-0.8508-0.1167-0.4377-0.649-0.43860.25890.71390.01290.03261.16970.4240.6566-42.17437.0441-46.0647
332.41920.1721-0.47090.86270.34372.01250.06841.3840.2282-0.4463-0.0021-0.1171-0.2559-0.1925-0.02110.71840.06-0.04091.18860.1840.4562-41.392627.0043-49.2123
340.49020.570.14641.9755-0.32421.9520.05770.0841-0.1158-0.79730.127-0.69710.6261-0.0536-0.12091.3726-0.10090.51791.1247-0.2061.0929-8.6953-4.0852-56.5455
35-0.0015-0.0011-0.00010.0001-0.0009-0.00080.05420.79270.2196-0.6641-0.3174-0.32980.2916-0.49870.24232.12390.30670.1142.60480.0011.0911-7.1412-8.6959-73.3296
360.43540.1760.03861.63130.1192-0.03110.48930.15410.128-0.6643-0.2913-0.346-0.593-0.0717-0.22540.72020.09350.09811.0904-0.08530.7148-14.17530.5499-51.9729
371.61321.0806-2.11682.8666-2.3713.19630.42250.17320.5848-0.6522-0.1273-0.4917-0.57840.0555-0.30421.9759-0.03370.56081.39950.47751.2968.41714.8548-86.95
384.24460.3157-0.33680.4742-1.12612.7181-0.09240.13270.3515-0.1169-0.33040.47210.97060.62730.40521.92-0.08610.32541.750.02981.38615.06148.5311-86.9895
391.6857-1.5048-0.4361.6865-0.39131.8947-0.3230.35780.0723-0.222-0.41340.4304-0.1261-0.07820.69892.1633-0.31120.45351.3997-0.2231.6993-3.968911.7259-82.3309
403.77550.33230.56134.2850.3073.67140.1319-0.0259-0.07930.2042-0.1111-0.0180.3652-0.0157-0.00562.20780.58850.87061.4233-0.06282.1582.08294.9252-80.2371
410.4258-0.5628-0.2310.73870.32060.9724-0.42310.61590.30930.03040.3124-0.427-0.0104-0.39010.13341.72380.20830.65621.2155-0.16091.9821-2.29639.3522-72.2148
420.03560.0155-0.33980.0025-0.12443.14380.4977-0.1123-0.58350.4118-0.26910.40240.06730.8663-0.18011.7978-0.23790.7150.92990.2061.665810.87466.1108-76.3168
431.1601-0.39050.1720.30750.05790.09970.3399-0.57190.22040.0117-0.5608-0.22680.14730.09720.17011.3013-0.29930.35821.3223-0.4272.04716.05312.4864-60.1848
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 1:62)
2X-RAY DIFFRACTION2(chain A and resid 63:354)
3X-RAY DIFFRACTION3(chain A and resid 355:404)
4X-RAY DIFFRACTION4(chain A and resid 405:468)
5X-RAY DIFFRACTION5(chain A and resid 469:500)
6X-RAY DIFFRACTION6(chain A and resid 501:541)
7X-RAY DIFFRACTION7(chain A and resid 542:587)
8X-RAY DIFFRACTION8(chain B and resid -5:95)
9X-RAY DIFFRACTION9(chain B and resid 96:248)
10X-RAY DIFFRACTION10(chain B and resid 249:284)
11X-RAY DIFFRACTION11(chain B and resid 285:586)
12X-RAY DIFFRACTION12(chain C and resid 1:150)
13X-RAY DIFFRACTION13(chain C and resid 151:252)
14X-RAY DIFFRACTION14(chain C and resid 253:329)
15X-RAY DIFFRACTION15(chain C and resid 330:450)
16X-RAY DIFFRACTION16(chain C and resid 451:499)
17X-RAY DIFFRACTION17(chain C and resid 500:538)
18X-RAY DIFFRACTION18(chain C and resid 539:586)
19X-RAY DIFFRACTION19(chain D and resid 3:82)
20X-RAY DIFFRACTION20(chain D and resid 83:125)
21X-RAY DIFFRACTION21(chain D and resid 126:180)
22X-RAY DIFFRACTION22(chain D and resid 181:350)
23X-RAY DIFFRACTION23(chain D and resid 351:398)
24X-RAY DIFFRACTION24(chain D and resid 399:455)
25X-RAY DIFFRACTION25(chain E and resid 2:90)
26X-RAY DIFFRACTION26(chain E and resid 91:183)
27X-RAY DIFFRACTION27(chain E and resid 184:347)
28X-RAY DIFFRACTION28(chain E and resid 348:455)
29X-RAY DIFFRACTION29(chain F and resid 1:55)
30X-RAY DIFFRACTION30(chain F and resid 56:91)
31X-RAY DIFFRACTION31(chain F and resid 92:147)
32X-RAY DIFFRACTION32(chain F and resid 148:188)
33X-RAY DIFFRACTION33(chain F and resid 189:455)
34X-RAY DIFFRACTION34(chain G and resid 1:90)
35X-RAY DIFFRACTION35(chain G and resid 91:106)
36X-RAY DIFFRACTION36(chain G and resid 107:206)
37X-RAY DIFFRACTION37(chain H and resid 4:18)
38X-RAY DIFFRACTION38(chain H and resid 19:31)
39X-RAY DIFFRACTION39(chain H and resid 32:42)
40X-RAY DIFFRACTION40(chain H and resid 43:55)
41X-RAY DIFFRACTION41(chain H and resid 56:70)
42X-RAY DIFFRACTION42(chain H and resid 71:84)
43X-RAY DIFFRACTION43(chain H and resid 85:98)

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