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- PDB-5knc: Crystal structure of the 3 ADP-bound V1 complex -

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Basic information

Entry
Database: PDB / ID: 5knc
TitleCrystal structure of the 3 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 / proton-transporting ATP synthase complex / proton motive force-driven plasma membrane ATP synthesis / sodium ion transport / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / 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 / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / 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: 3.015 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)394,75429
Polymers392,0148
Non-polymers2,74021
Water1,29772
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area44920 Å2
ΔGint-214 kcal/mol
Surface area114780 Å2
MethodPISA
Unit cell
Length a, b, c (Å)121.680, 126.490, 225.260
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 , 5 types, 93 molecules

#5: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#6: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate


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


Mass: 92.094 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C3H8O3
#9: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 72 / 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: 2.21 Å3/Da / Density % sol: 44.37 %
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: Nov 15, 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: 0.06
ReflectionResolution: 3.015→50 Å / Num. obs: 67952 / % possible obs: 99.2 % / Redundancy: 6.6 % / Net I/σ(I): 10.08
Reflection shellResolution: 3.02→3.21 Å / Redundancy: 6.5 % / Rmerge(I) obs: 1.064 / Mean I/σ(I) obs: 1.92 / % possible all: 95.4

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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: 5KNB

5knb


Resolution: 3.015→48.372 Å / SU ML: 0.39 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 25.64
RfactorNum. reflection% reflectionSelection details
Rfree0.2532 3421 4.98 %RANDOM
Rwork0.214 ---
obs0.216 65266 99.19 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.015→48.372 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms26532 0 173 72 26777
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00327160
X-RAY DIFFRACTIONf_angle_d0.6636748
X-RAY DIFFRACTIONf_dihedral_angle_d13.84310232
X-RAY DIFFRACTIONf_chiral_restr0.0254164
X-RAY DIFFRACTIONf_plane_restr0.0034783
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.0152-3.05820.38851030.34812204X-RAY DIFFRACTION82
3.0582-3.10390.31761430.30572721X-RAY DIFFRACTION100
3.1039-3.15240.35031430.31112714X-RAY DIFFRACTION100
3.1524-3.2040.31451420.29942711X-RAY DIFFRACTION100
3.204-3.25930.33231420.29392693X-RAY DIFFRACTION100
3.2593-3.31850.33251440.28452730X-RAY DIFFRACTION100
3.3185-3.38230.36471420.27162709X-RAY DIFFRACTION100
3.3823-3.45140.27231420.2592680X-RAY DIFFRACTION100
3.4514-3.52640.28621440.24172736X-RAY DIFFRACTION100
3.5264-3.60840.29041430.23572718X-RAY DIFFRACTION100
3.6084-3.69860.24971420.222706X-RAY DIFFRACTION100
3.6986-3.79860.24811430.21982723X-RAY DIFFRACTION100
3.7986-3.91030.25291440.21512727X-RAY DIFFRACTION100
3.9103-4.03640.24651430.20232719X-RAY DIFFRACTION100
4.0364-4.18060.23811440.18862741X-RAY DIFFRACTION100
4.1806-4.34790.23141440.1812730X-RAY DIFFRACTION100
4.3479-4.54570.20451440.17382737X-RAY DIFFRACTION100
4.5457-4.78510.20361440.1762735X-RAY DIFFRACTION100
4.7851-5.08460.2211450.18022767X-RAY DIFFRACTION100
5.0846-5.47670.2771450.20672753X-RAY DIFFRACTION100
5.4767-6.02690.28061460.22242770X-RAY DIFFRACTION100
6.0269-6.89690.24681470.21392784X-RAY DIFFRACTION100
6.8969-8.68110.21151480.17752829X-RAY DIFFRACTION100
8.6811-48.37850.18711540.16442913X-RAY DIFFRACTION99
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)
1-0.1327-0.13010.17930.50330.30630.274-0.2029-0.0566-0.19240.48390.05280.32850.41850.0018-0.26690.76620.0210.2130.34060.03230.416823.0023-29.70922.9892
21.0102-0.23890.05151.0735-0.29750.9787-0.12230.16380.08410.1984-0.05260.03910.2989-0.0342-0.02240.54030.00240.08910.33480.01720.346429.7941-26.7392-6.5009
31.141-0.5422-1.02721.27970.21170.8922-0.17410.020.14340.0280.0983-0.33810.23110.0519-00.35980.0281-0.03840.37660.03770.392756.8908-27.2561-24.2313
40.51350.2059-0.05170.6311-0.04280.56970.1749-0.16330.07980.281-0.01780.0521-0.10570.00770.01520.312-0.05930.0810.3765-0.12840.384327.460134.34732.8449
50.572-0.1842-0.17510.74130.0195-0.15630.0958-0.02470.16070.0168-0.00250.1257-0.0464-0.01610.03530.2462-0.01050.06830.2359-0.0570.294834.780142.9216-12.5605
60.16780.0457-0.0140.09120.20040.4806-0.0053-0.0640.1212-0.249-0.3092-0.3513-0.2444-0.0959-0.00030.3167-0.04970.04810.4744-0.03190.519848.201133.819-9.1871
70.9389-0.1353-0.6730.64470.18920.8759-0.01330.02950.0601-0.1759-0.0135-0.08040.01740.03540.00540.2143-0.01450.04040.20160.00560.227547.984426.9434-28.2494
8-0.102-0.04250.48630.60211.5248-0.56190.17180.19480.04150.1359-0.23740.6379-0.4901-0.10270.08970.19990.1132-0.24090.7723-0.24720.8006-19.47886.6507-41.3007
90.5309-0.0197-0.29690.76630.48950.5456-0.04150.1826-0.0921-0.2634-0.04780.1956-0.1133-0.1-0.39680.39040.0011-0.14350.4663-0.07310.344311.5079-3.171-55.7679
100.26610.00540.21730.2682-0.26510.1732-0.2231-0.0294-0.29520.0457-0.03050.0507-0.1104-0.2676-0.00080.597-0.05220.14390.6401-0.22310.85-11.4955-13.4893-17.1779
110.15060.0548-0.17160.06120.07390.0541-0.04230.3915-0.44840.4047-0.23850.7542-0.2485-0.61240.00920.5681-0.2140.04520.5812-0.29370.8525-7.5342-32.0025-32.8151
12-0.0573-0.01560.08960.27320.03540.1605-0.23930.4845-0.18890.2097-0.0841-0.12530.182-0.118-00.6674-0.07050.15710.5292-0.11770.67379.7441-35.3263-18.2368
130.1449-0.041-0.0451-0.01330.13370.02730.0715-0.1717-0.10310.16670.0038-0.3377-0.08790.1529-00.4675-0.04220.00730.3058-0.0790.451321.403-36.5999-36.8905
140.37420.273-0.17740.11040.22280.4584-0.05180.3828-0.1098-0.2138-0.07880.3287-0.0244-0.1515-0.00370.3697-0.0650.07420.5732-0.16060.47398.1845-29.5018-42.1722
15-0.05070.3986-0.4320.0972-0.13980.58920.00390.1023-0.15240.0844-0.29450.57940.1919-0.2387-0.0850.3633-0.11780.03130.3706-0.1520.46163.8291-28.7506-31.0311
160.255-0.06050.4909-0.04980.73190.908-0.1206-0.12340.0727-0.1074-0.0938-0.004-0.11520.0464-0.06820.3812-0.03050.14070.3511-0.10290.510313.1592-19.68-25.0731
170.94050.1453-1.15980.76630.15990.5582-0.18530.2102-0.2572-0.0804-0.0567-0.19460.13230.0939-0.01540.4241-0.03730.07970.3768-0.08340.462632.0453-31.4663-45.6688
180.13330.0022-0.1290.2401-0.07340.1865-0.1067-0.26470.04080.2194-0.1480.33590.14440.2647-00.6213-0.05430.12640.5094-0.03770.45918.5555-0.880713.4433
190.99090.2747-0.1470.86880.35380.0126-0.0076-0.21210.04590.28510.04680.00480.19120.05300.43170.0067-0.03680.4684-0.02190.24340.20163.85927.3603
200.1782-0.0058-0.17080.0578-0.21170.52130.1037-0.0222-0.02130.2002-0.1814-0.25780.21370.1847-00.47050.0881-0.07670.4598-0.05670.342454.8583-4.35624.4241
210.9494-0.5601-0.07891.37670.43350.56-0.11420.0217-0.00130.01180.0906-0.0445-0.09320.0833-0.00190.2336-0.0010.00860.33630.00270.181244.57124.2461-3.643
220.04330.30760.0350.42650.22310.4401-0.3151-0.1139-0.1138-0.22590.3532-0.71920.12850.3036-00.4109-0.06570.17230.6066-0.1040.7371.14595.4737-18.5496
230.5406-0.66130.67860.5244-0.14290.6980.1942-0.01620.08010.0499-0.23940.0572-0.0641-0.2034-00.4410.0181-0.03240.5199-0.14740.71970.693428.9628-12.2323
240.0958-0.6291-0.6186-0.00230.03610.27670.04480.07340.1281-0.1456-0.23630.1816-0.527-0.2476-0.00010.63090.0731-0.15460.5265-0.07860.73963.451540.175-28.2765
250.65410.2003-0.94660.67970.0080.7570.00440.10820.3557-0.23120.00660.1639-0.3559-0.09630.01320.48830.0508-0.13020.40530.09180.44217.019531.757-42.8918
260.40080.5665-0.6850.45980.2570.7739-0.15980.02870.0575-0.0895-0.10070.1201-0.2293-0.0938-0.05340.41310.0085-0.11780.3913-0.0190.38111.477722.7123-35.5089
270.64340.2341-0.81890.45060.02040.77460.0010.36950.0986-0.03-0.0047-0.0655-0.02350.0041-00.486-0.0109-0.04360.43670.01680.331426.501316.7583-53.1119
280.0097-0.0070.0036-0.0229-0.0079-0.0177-0.01780.36680.0182-0.4870.0468-0.05410.12250.1812-00.72780.1381-0.1660.8280.17621.381545.88434.8215-60.171
290.43830.1624-0.12940.1536-0.31610.34340.18620.19680.372-0.94340.0786-0.9034-0.3156-0.29490.00370.8574-0.09450.06530.59160.14370.221431.633619.5979-64.0429
30-0.08030.1046-0.19590.5549-0.48860.73440.096-0.21330.06530.0007-0.117-0.15620.11560.203600.6707-0.05370.01410.69710.00240.542458.8457-4.5281-60.4187
310.1389-0.13480.01460.6637-0.0263-0.024-0.51880.2332-0.16450.0928-0.2741-0.4370.3403-0.4162-0.03040.2056-0.28930.48670.6680.13780.54965.6506-7.5244-83.6022
320.38740.1563-0.21110.1135-0.38820.15350.0363-0.28230.3566-0.04180.1573-0.06170.06710.22400.5147-0.05720.01530.5138-0.00850.485443.8647-1.8999-43.9367
330.0064-0.00910.0122-0.0036-0.0039-0.001-0.11790.1422-0.1027-0.2088-0.35980.4782-0.0577-0.053701.18430.21910.12070.53260.04960.494756.0084-3.1697-81.7571
34-0.0029-0.0284-0.04080.0107-0.0007-0.0093-0.380.2045-0.04790.1464-0.2551-0.446-0.23230.3583-00.9484-0.00240.15650.53650.030.541272.336.7249-82.6644
35-0.0010.0147-0.0135-0.0151-0.00830.00280.15830.06490.1118-0.4128-0.32150.0483-0.1098-0.21240-0.51930.25521.69020.7148-0.2166-0.302569.3846-0.4598-87.7868
360.02450.0224-0.055-0.00730.0366-0.0037-0.02670.2560.2062-0.1017-0.55580.1807-0.0254-0.3172-00.99580.08360.14530.87670.0930.483965.70148.2602-82.814
370.01470.0212-0.1702-0.0307-0.00160.13360.04530.29290.2732-0.0948-0.11630.3871-0.4467-0.3842-00.82880.03550.05040.63140.08670.714557.18558.515-77.0093
38-0.00250.034-0.02370.00430.0190.01370.07530.05150.41190.16660.0415-0.6942-0.7582-0.33300.69560.07770.0990.2904-0.03220.467768.9055.4936-73.8381
39-0.0134-0.01280.00990.0535-0.0166-0.02080.11760.55650.54640.00540.001-0.1990.1918-0.4907-01.09360.10340.20970.71070.02290.696759.48665.9304-67.8451
400.02960.02020.04160.04530.01520.0547-0.3426-0.3588-0.006-0.00590.10280.0815-0.61270.2122-00.4847-0.04520.09140.68520.03930.859973.4233.7986-71.9755
410.0354-0.03010.0208-0.00430.01440.02440.2919-0.01020.33630.1334-0.24270.12-0.2334-0.092300.9488-0.32520.04360.7744-0.22270.895668.5765-0.1635-57.8814
42-0.0048-0.00420.0112-0.0042-0.00490.00230.0587-0.02680.17110.0452-0.12310.0010.09260.1464-02.0172-0.01180.2850.9749-0.14110.927969.5348-7.1247-50.5349
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 1:249)
2X-RAY DIFFRACTION2(chain A and resid 250:384)
3X-RAY DIFFRACTION3(chain A and resid 385:588)
4X-RAY DIFFRACTION4(chain B and resid 0:147)
5X-RAY DIFFRACTION5(chain B and resid 148:248)
6X-RAY DIFFRACTION6(chain B and resid 249:289)
7X-RAY DIFFRACTION7(chain B and resid 290:587)
8X-RAY DIFFRACTION8(chain C and resid 1:192)
9X-RAY DIFFRACTION9(chain C and resid 193:586)
10X-RAY DIFFRACTION10(chain D and resid 1:83)
11X-RAY DIFFRACTION11(chain D and resid 84:106)
12X-RAY DIFFRACTION12(chain D and resid 107:124)
13X-RAY DIFFRACTION13(chain D and resid 125:148)
14X-RAY DIFFRACTION14(chain D and resid 149:202)
15X-RAY DIFFRACTION15(chain D and resid 203:252)
16X-RAY DIFFRACTION16(chain D and resid 253:311)
17X-RAY DIFFRACTION17(chain D and resid 312:454)
18X-RAY DIFFRACTION18(chain E and resid 3:43)
19X-RAY DIFFRACTION19(chain E and resid 44:158)
20X-RAY DIFFRACTION20(chain E and resid 159:203)
21X-RAY DIFFRACTION21(chain E and resid 204:357)
22X-RAY DIFFRACTION22(chain E and resid 358:455)
23X-RAY DIFFRACTION23(chain F and resid 1:66)
24X-RAY DIFFRACTION24(chain F and resid 67:112)
25X-RAY DIFFRACTION25(chain F and resid 113:227)
26X-RAY DIFFRACTION26(chain F and resid 228:319)
27X-RAY DIFFRACTION27(chain F and resid 320:388)
28X-RAY DIFFRACTION28(chain F and resid 389:398)
29X-RAY DIFFRACTION29(chain F and resid 399:455)
30X-RAY DIFFRACTION30(chain G and resid 2:80)
31X-RAY DIFFRACTION31(chain G and resid 81:135)
32X-RAY DIFFRACTION32(chain G and resid 136:206)
33X-RAY DIFFRACTION33(chain H and resid 2:6)
34X-RAY DIFFRACTION34(chain H and resid 7:15)
35X-RAY DIFFRACTION35(chain H and resid 16:20)
36X-RAY DIFFRACTION36(chain H and resid 21:29)
37X-RAY DIFFRACTION37(chain H and resid 30:47)
38X-RAY DIFFRACTION38(chain H and resid 48:55)
39X-RAY DIFFRACTION39(chain H and resid 56:71)
40X-RAY DIFFRACTION40(chain H and resid 72:85)
41X-RAY DIFFRACTION41(chain H and resid 86:96)
42X-RAY DIFFRACTION42(chain H and resid 97:103)

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