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- PDB-6xgz: Crystal structure of E. coli MlaFB ABC transport subunits in the ... -

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Basic information

Entry
Database: PDB / ID: 6xgz
TitleCrystal structure of E. coli MlaFB ABC transport subunits in the monomeric state
Components
  • ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
  • Organic solvent ABC transporter ATP-binding protein
KeywordsLIPID TRANSPORT / ABC transporters / MlaF / MlaB / bacterial outer membrane / ATPase / regulation / STAS domain
Function / homology
Function and homology information


phospholipid transfer activity / intermembrane phospholipid transfer / phospholipid-translocating ATPase complex / phospholipid transport / Translocases; Catalysing the translocation of other compounds; Linked to the hydrolysis of a nucleoside triphosphate / ATPase-coupled transmembrane transporter activity / response to antibiotic / DNA damage response / ATP hydrolysis activity / ATP binding ...phospholipid transfer activity / intermembrane phospholipid transfer / phospholipid-translocating ATPase complex / phospholipid transport / Translocases; Catalysing the translocation of other compounds; Linked to the hydrolysis of a nucleoside triphosphate / ATPase-coupled transmembrane transporter activity / response to antibiotic / DNA damage response / ATP hydrolysis activity / ATP binding / membrane / plasma membrane / cytoplasm / cytosol
Similarity search - Function
Probable ABC transporter ATP-binding protein MlaF/Mkl / : / : / : / Mlab, STAS domain / STAS domain / Transcription Regulator spoIIAA / STAS domain profile. / STAS domain / STAS domain superfamily ...Probable ABC transporter ATP-binding protein MlaF/Mkl / : / : / : / Mlab, STAS domain / STAS domain / Transcription Regulator spoIIAA / STAS domain profile. / STAS domain / STAS domain superfamily / ABC transporter-like, conserved site / ABC transporters family signature. / ABC transporter / ABC transporter-like, ATP-binding domain / ATP-binding cassette, ABC transporter-type domain profile. / P-loop containing nucleotide triphosphate hydrolases / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
PHOSPHATE ION / Intermembrane phospholipid transport system ATP-binding protein MlaF / Intermembrane phospholipid transport system binding protein MlaB / Organic solvent ABC transporter ATP-binding protein / Intermembrane phospholipid transport system binding protein MlaB
Similarity search - Component
Biological speciesEscherichia coli LAU-EC10 (bacteria)
Escherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsChang, Y. / Bhabha, G. / Ekiert, D.C.
Funding support United States, 5items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35GM128777 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R00GM112982 United States
Other privateDFS-20-16 United States
American Heart Association20POST35210202 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)T32 GM088118 United States
CitationJournal: Elife / Year: 2020
Title: Structure of MlaFB uncovers novel mechanisms of ABC transporter regulation.
Authors: Kolich, L.R. / Chang, Y.T. / Coudray, N. / Giacometti, S.I. / MacRae, M.R. / Isom, G.L. / Teran, E.M. / Bhabha, G. / Ekiert, D.C.
History
DepositionJun 18, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 15, 2020Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Organic solvent ABC transporter ATP-binding protein
B: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
C: Organic solvent ABC transporter ATP-binding protein
D: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
E: Organic solvent ABC transporter ATP-binding protein
F: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
G: Organic solvent ABC transporter ATP-binding protein
H: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,86920
Polymers165,7718
Non-polymers1,09812
Water18010
1
A: Organic solvent ABC transporter ATP-binding protein
B: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,7876
Polymers41,4432
Non-polymers3444
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2690 Å2
ΔGint-31 kcal/mol
Surface area17680 Å2
MethodPISA
2
C: Organic solvent ABC transporter ATP-binding protein
D: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,7255
Polymers41,4432
Non-polymers2823
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2500 Å2
ΔGint-31 kcal/mol
Surface area17480 Å2
MethodPISA
3
E: Organic solvent ABC transporter ATP-binding protein
F: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,7255
Polymers41,4432
Non-polymers2823
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2270 Å2
ΔGint-32 kcal/mol
Surface area18120 Å2
MethodPISA
4
G: Organic solvent ABC transporter ATP-binding protein
H: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component
hetero molecules


Theoretical massNumber of molelcules
Total (without water)41,6334
Polymers41,4432
Non-polymers1902
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2380 Å2
ΔGint-32 kcal/mol
Surface area17870 Å2
MethodPISA
Unit cell
Length a, b, c (Å)78.270, 136.080, 261.830
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails (eV)
11(chain B and ((resid -4 and (name N or name...
21(chain D and (resid -4 or resid -2 or resid...
31(chain F and (resid -4 or resid -2 or resid...
41(chain H and ((resid -4 and (name N or name...
12(chain C and (resid 4 through 17 or (resid 18...
22(chain E and (resid 4 through 17 or (resid 18...
32(chain G and (resid 4 through 83 or resid 85...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111GLUGLUGLUGLU(chain B and ((resid -4 and (name N or name...BB-48
121GLUGLUARGARG(chain B and ((resid -4 and (name N or name...BB-4 - 978 - 109
131GLUGLUARGARG(chain B and ((resid -4 and (name N or name...BB-4 - 978 - 109
141GLUGLUARGARG(chain B and ((resid -4 and (name N or name...BB-4 - 978 - 109
151GLUGLUARGARG(chain B and ((resid -4 and (name N or name...BB-4 - 978 - 109
211GLUGLUGLUGLU(chain D and (resid -4 or resid -2 or resid...DD-48
221LEULEULEULEU(chain D and (resid -4 or resid -2 or resid...DD-210
231PHEPHEPHEPHE(chain D and (resid -4 or resid -2 or resid...DD012
241SERSERSERSER(chain D and (resid -4 or resid -2 or resid...DD2 - 614 - 18
251METMETSERSER(chain D and (resid -4 or resid -2 or resid...DD8 - 4520 - 57
261VALVALARGARG(chain D and (resid -4 or resid -2 or resid...DD47 - 9759 - 109
311GLUGLUGLUGLU(chain F and (resid -4 or resid -2 or resid...FF-48
321LEULEULEULEU(chain F and (resid -4 or resid -2 or resid...FF-210
331PHEPHEPHEPHE(chain F and (resid -4 or resid -2 or resid...FF012
341SERSERSERSER(chain F and (resid -4 or resid -2 or resid...FF2 - 614 - 18
351METMETSERSER(chain F and (resid -4 or resid -2 or resid...FF8 - 4520 - 57
361VALVALARGARG(chain F and (resid -4 or resid -2 or resid...FF47 - 9759 - 109
411GLUGLUGLUGLU(chain H and ((resid -4 and (name N or name...HH-48
421GLUGLUARGARG(chain H and ((resid -4 and (name N or name...HH-4 - 978 - 109
431GLUGLUARGARG(chain H and ((resid -4 and (name N or name...HH-4 - 978 - 109
441GLUGLUARGARG(chain H and ((resid -4 and (name N or name...HH-4 - 978 - 109
451GLUGLUARGARG(chain H and ((resid -4 and (name N or name...HH-4 - 978 - 109
112SERSERTHRTHR(chain C and (resid 4 through 17 or (resid 18...CC4 - 174 - 17
122ARGARGARGARG(chain C and (resid 4 through 17 or (resid 18...CC1818
132SERSERPROPRO(chain C and (resid 4 through 17 or (resid 18...CC4 - 2674 - 267
212SERSERTHRTHR(chain E and (resid 4 through 17 or (resid 18...EE4 - 174 - 17
222ARGARGARGARG(chain E and (resid 4 through 17 or (resid 18...EE1818
232SERSERGLYGLY(chain E and (resid 4 through 17 or (resid 18...EE4 - 2684 - 268
312SERSERVALVAL(chain G and (resid 4 through 83 or resid 85...GG4 - 834 - 83
322LYSLYSALAALA(chain G and (resid 4 through 83 or resid 85...GG85 - 15085 - 150
332SERSERGLYGLY(chain G and (resid 4 through 83 or resid 85...GG4 - 2684 - 268
342SERSERGLYGLY(chain G and (resid 4 through 83 or resid 85...GG4 - 2684 - 268
352ALAALAPROPRO(chain G and (resid 4 through 83 or resid 85...GG215 - 238215 - 238
362PHEPHEPHEPHE(chain G and (resid 4 through 83 or resid 85...GG243243
372SERSERGLYGLY(chain G and (resid 4 through 83 or resid 85...GG4 - 2684 - 268
382SERSERGLYGLY(chain G and (resid 4 through 83 or resid 85...GG4 - 2684 - 268
392SERSERGLYGLY(chain G and (resid 4 through 83 or resid 85...GG4 - 2684 - 268

NCS ensembles :
ID
1
2

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Components

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Protein , 2 types, 8 molecules ACEGBDFH

#1: Protein
Organic solvent ABC transporter ATP-binding protein


Mass: 29128.801 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli LAU-EC10 (bacteria) / Gene: V415_03760 / Plasmid: pBEL1307 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta2 / References: UniProt: V8KL36, UniProt: P63386*PLUS
#2: Protein
ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component / Lipid asymmetry maintenance protein MlaB / Phospholipid ABC transporter substrate-binding protein / ...Lipid asymmetry maintenance protein MlaB / Phospholipid ABC transporter substrate-binding protein / Phospholipid ABC transporter-binding protein / Putative anti-sigma factor antagonist / Putative phospholipid ABC transporter-binding protein MlaB


Mass: 12314.044 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: mlaB, yrbB, 55 / Plasmid: pBEL1307 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta2 / References: UniProt: W8T4U6, UniProt: P64602*PLUS

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Non-polymers , 4 types, 22 molecules

#3: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: PO4
#4: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 4.21 Å3/Da / Density % sol: 70.75 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, sitting drop / pH: 5.6
Details: 0.7 M NH4H2PO4, 0.07 M Na3 Cit pH5.6, 30 %v/v Glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.1158 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 12, 2016
RadiationMonochromator: Water-cooled flat double Si(111) Khozu Monochromator
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1158 Å / Relative weight: 1
ReflectionResolution: 2.6→48.87 Å / Num. obs: 86874 / % possible obs: 92.07 % / Redundancy: 13.1 % / CC1/2: 1 / Net I/σ(I): 18.68
Reflection shellResolution: 2.6→2.693 Å / Num. unique obs: 8606 / CC1/2: 0.538

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2OUK, 3F43

2ouk

3f43


Resolution: 2.6→48.87 Å / SU ML: 0.38 / Cross valid method: THROUGHOUT / σ(F): 0 / Phase error: 29.03 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2374 1834 2.29 %Random
Rwork0.2025 78198 --
obs0.2033 80032 92.09 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 205.51 Å2 / Biso mean: 94.4207 Å2 / Biso min: 40.71 Å2
Refinement stepCycle: final / Resolution: 2.6→48.87 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11090 0 62 10 11162
Biso mean--108.62 65.04 -
Num. residues----1456
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11B1768X-RAY DIFFRACTION9.891TORSIONAL
12D1768X-RAY DIFFRACTION9.891TORSIONAL
13F1768X-RAY DIFFRACTION9.891TORSIONAL
14H1768X-RAY DIFFRACTION9.891TORSIONAL
21C3462X-RAY DIFFRACTION9.891TORSIONAL
22E3462X-RAY DIFFRACTION9.891TORSIONAL
23G3462X-RAY DIFFRACTION9.891TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.6-2.670.46391030.3984800490374
2.67-2.750.39411240.36395065518979
2.75-2.840.381210.32855263538481
2.84-2.940.30491340.29885643577788
2.94-3.060.30891400.28265774591490
3.06-3.20.32871420.27376053619594
3.2-3.360.24081450.2436224636996
3.36-3.570.26931510.22056381653298
3.57-3.850.25531530.20266416656999
3.85-4.240.20971480.17566530667899
4.24-4.850.18151550.150865496704100
4.85-6.110.20131560.193966256781100
6.11-48.870.22681620.17668757037100
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)
13.0639-1.9904-1.75633.0424-0.22224.5917-0.1216-0.73040.43010.2150.2784-0.54420.14641.1072-0.21030.4732-0.0689-0.07290.919-0.06940.718335.62449.448140.3235
22.572-2.37161.08852.8639-1.1722.75430.19920.071.1209-0.1854-0.2525-1.0276-0.77460.7751-0.00350.7068-0.24230.14060.74120.07470.990132.639619.125220.7488
30.6948-0.2242-0.58951.9725-0.44464.75220.0777-0.20280.30250.16150.0746-0.0879-0.42420.4676-0.14940.4134-0.1281-0.07890.5843-0.03450.62819.185216.222737.4127
41.03690.9417-0.71547.56612.56492.03640.0531-0.1323-0.15980.2135-0.4447-0.2990.6395-0.97070.63131.3207-0.30180.01641.2151-0.05330.785318.9006-4.54050.1801
52.0788-0.45151.53042.061-0.71011.8067-0.5441.2871-0.4113-0.5569-0.02650.62741.4323-2.10390.1480.9396-0.3349-0.04731.2956-0.02350.763714.155-1.5791.5526
66.21331.6724-3.25242.55750.18987.94780.71250.50910.1957-0.8212-0.5836-0.4824-0.2153-0.2786-0.17880.8372-0.0998-0.02020.76660.07390.690620.46634.47497.2639
75.95235.9874.37366.35974.59593.32790.3093-1.0659-0.7575-1.4553-0.8112-0.5511-1.3687-0.11310.51851.705-0.4360.02851.26260.10310.654416.84857.7102-2.9573
86.8211-1.09174.81512.49062.13357.62230.4836-1.2901-0.8903-1.2164-0.70160.7172-1.5632-1.46510.15091.2154-0.2334-0.42811.82420.10680.77117.37185.0672-2.2367
92.863-3.76921.61429.418-5.40753.38590.35940.1831-1.0886-0.7739-0.39450.82761.9196-2.33740.11230.8242-0.4019-0.18491.4042-0.23890.80098.64140.41178.8357
103.54640.5769-1.56475.26231.56597.01490.03080.2977-0.0521-0.5677-0.13940.1634-0.4108-0.92170.18630.6234-0.1021-0.0840.64830.11690.549313.78298.24969.0982
112.26440.1497-1.91983.5308-1.57032.33760.33770.3992-0.6215-0.2718-0.25190.82830.4645-2.17850.2410.7692-0.1206-0.16731.31350.0150.90334.80715.78086.7794
124.0038-1.0907-1.17052.84962.1198.82780.08280.4303-0.3553-0.0346-0.481.38180.7931-1.62590.24540.3302-0.146-0.0460.9689-0.03190.668510.31259.067621.3013
132.57394.0464.50788.83075.97418.3594-0.23252.14810.8686-0.0643-0.58831.302-0.0691-1.03270.90680.52660.0161-0.18321.12120.04761.01826.566215.189214.8373
145.6264-0.193-0.03324.555-0.8444.9546-0.10830.19740.4333-0.1693-0.04020.5218-0.4278-0.34230.17540.4914-0.0097-0.10470.48540.0610.6974-15.535517.32530.2793
152.2101-0.57833.66780.2198-1.14325.9329-0.2274-0.6721-0.17740.3678-0.00990.3135-0.1446-0.88090.48080.6719-0.0463-0.00640.7572-0.00650.7177-14.67414.533242.115
161.2968-0.71620.70150.7759-0.07913.3933-0.121-0.03180.16820.0778-0.02150.1753-0.084-0.2070.11650.4728-0.06270.00060.55250.03190.5794-0.92510.036941.4739
175.816-1.7939-2.61851.86560.53231.23040.3227-0.130.662-0.6087-0.13260.023-0.14810.3788-0.491.00040.0314-0.16190.6143-0.02021.06255.958130.84823.6886
184.98252.6005-2.43068.42622.76593.5265-0.50310.5016-0.5718-0.660.138-0.0090.7925-0.64170.22651.2634-0.10150.08110.898-0.01030.86113.0295-24.592926.4057
197.52234.3348-0.38538.92470.99962.08410.11320.3947-1.4737-1.13730.0916-1.0320.6916-0.4436-0.14530.93440.0501-0.02220.7336-0.0160.80447.3534-19.450528.6732
205.012.7946-3.66062.87080.92399.40280.06410.04460.22780.54610.4316-0.30540.2771-1.1212-0.53431.0244-0.1009-0.08580.9113-0.04410.9202-1.7726-15.662536.3233
214.00320.2902-4.10422.6502-0.35214.3079-0.2351-0.2555-1.06440.25910.216-0.28621.7366-0.31650.19031.51350.0575-0.01460.5056-0.02321.00719.8336-24.022137.6906
227.49843.6150.52362.01950.19368.62920.03670.57110.0099-0.71640.3114-0.19810.5852-0.0895-0.13650.71180.01810.10960.59330.0060.8117.8074-10.904728.3875
235.093-2.95192.42625.536-3.57966.6076-0.4744-0.6935-0.63171.23490.6922-0.89320.7003-0.0845-0.20731.04870.0231-0.1210.6101-0.01030.817412.0357-15.385340.8901
242.0202-2.4784-2.13698.70552.14984.33120.12010.19910.0411-0.30010.0283-0.41890.46870.4679-0.5180.5126-0.05630.11090.6678-0.00530.610112.2855-3.751932.2666
253.2768-3.8626-4.6864.61795.64016.8777-0.0101-0.9541-0.13580.10530.9133-1.7490.76621.6428-0.94540.56120.0843-0.07480.8044-0.13010.799614.8054-4.454241.2636
264.12750.56671.29482.86981.03733.44710.24930.0095-0.16610.14970.03060.63780.3315-2.1191-0.27590.75-0.06170.00591.82150.33791.0826-20.47671.906786.3131
270.76350.1564-0.23772.0127-0.78161.91140.1081-0.53310.59330.07910.42991.463-0.4572-1.4993-0.48220.93070.3840.0911.75340.20111.2658-18.709816.210183.7399
281.79270.71140.30383.7804-1.0794.4502-0.0074-0.131-0.03850.00940.26360.4648-0.0667-0.7677-0.28330.48550.1517-0.02940.68320.040.5584-3.656710.043481.3605
292.28121.68861.87931.6650.75383.8360.17640.63670.031-0.17290.3640.31220.301-0.3896-0.87951.4928-0.1836-0.09221.10490.04731.0677-3.7596-17.024896.6693
302.024-1.3916-0.10243.99873.36453.5209-0.2828-0.15640.90540.9698-0.01340.536-0.8478-0.44420.50511.48470.0988-0.04140.7912-0.05330.81020.258338.435104.3804
313.8343-1.10270.66618.86862.74677.59810.2391-0.84030.64790.8814-0.0577-0.6653-0.8842-0.64630.11271.20150.11980.00340.59710.03160.7235.259133.9906102.0431
323.89841.24211.58279.8823.94556.2482-0.8956-0.20740.8194-0.95750.36240.2097-1.4302-0.5310.40391.38210.2895-0.07610.5341-0.07510.66361.031236.238792.6374
339.793-6.78536.59384.7851-4.79855.0898-0.2920.6094-0.06260.8857-0.2971-1.06090.8844-0.19330.00151.39180.0749-0.25490.6845-0.30081.012115.223238.523597.6532
348.87132.1574-3.72297.9415-2.34134.62060.5657-0.9879-0.29821.51610.1398-0.1007-0.04320.777-0.32971.06870.252-0.11620.8992-0.08440.75855.013525.7586100.5049
355.3671.3994-0.61546.09270.86732.80410.41161.1032-0.05310.180.2017-0.86630.22920.3461-0.46130.99430.1548-0.05480.70470.0440.71329.832530.973289.3734
369.90836.1111-6.44394.1127-5.09127.7430.3671-0.8707-0.07680.70430.1291-0.632-0.0131.2849-0.3911.19560.1752-0.11390.9602-0.18430.832415.437628.983997.5411
378.8036-0.23162.03678.58582.62882.1174-0.3112-0.36180.43221.21070.65-0.54841.88510.7925-0.80991.17270.2181-0.15650.5729-0.00790.9327.426816.082192.9818
387.44071.35255.04247.28074.77039.92930.41020.52460.17480.15380.5014-1.39640.88051.7869-0.84840.81240.1771-0.10650.9271-0.13840.739213.598621.087587.8239
394.1851-0.598-3.0872.6088-0.31892.52850.10420.1113-0.47750.27790.3651-0.9881-0.07152.0734-0.47760.79840.4168-0.16661.7463-0.13851.157832.14191.640686.3019
404.08510.5794-0.50432.89210.57951.7061-0.10930.55330.1287-0.30920.2831-0.96960.44332.0858-0.22870.78230.4257-0.09711.5955-0.03710.89925.1281-0.581382.0182
410.4720.18890.13452.0541.99252.01770.56530.2189-0.53330.18080.2187-1.04991.32932.1093-0.34240.91920.6039-0.18012.1485-0.1531.159733.2695-3.276989.7829
420.325-0.3448-0.75892.8449-0.57272.86510.1047-0.3201-1.04770.3163-0.1698-1.54081.40461.1973-0.11291.35040.5398-0.24281.2561-0.01181.129425.4949-13.331397.9677
430.85160.2996-0.25452.5434-1.08342.58530.38420.1857-0.47590.0429-0.0622-0.12481.64710.4481-0.28251.32540.2394-0.25390.6094-0.05760.716511.0735-12.993698.8206
441.68491.13491.43062.6441-0.88656.7788-0.0350.48450.1878-0.39370.00040.08080.60471.5354-0.03880.61570.2433-0.06090.94820.01750.640316.64082.684578.183
451.9344-0.16710.67848.42174.7794.79680.4339-0.0816-0.0969-0.0009-0.034-1.0942-0.0490.2759-0.26670.68410.0491-0.02780.7872-0.05760.639410.776417.005171.8752
462.47521.34312.81224.07-2.10287.0530.1281-0.88040.19170.3393-0.06930.2786-1.10860.0445-0.25971.20540.01850.05231.0044-0.07390.744412.91325.5254127.0683
473.4891-0.31084.21612.04030.93696.1829-0.5343-0.79350.1096-0.02830.3069-0.6524-0.9270.2557-0.2470.9823-0.07940.080.8167-0.11550.655910.89995.1341118.9997
486.1692.01461.95312.4545-2.22055.50020.6302-0.3187-0.6643-0.2557-0.3252-1.22130.68550.9136-0.57721.20070.188-0.06840.7931-0.17970.863316.3061-4.6708118.5652
498.2038-5.6599-2.64456.02134.57974.44690.5395-0.88180.43941.38880.1768-0.07061.0807-0.6279-0.51221.50460.1168-0.08010.82990.00770.62238.9791-5.4098127.7812
509.3372-3.8725-0.96214.01181.79250.9105-0.008-0.8473-0.10280.24020.1320.2084-0.2835-1.5795-0.22651.18840.09620.20881.3279-0.18590.8580.96950.015127.8172
516.11422.2909-1.16542.942-3.84686.0373-0.1017-0.08870.52380.32310.15550.1195-1.1522-0.1361-0.23790.91810.198-0.04650.7724-0.08160.73269.08275.9547114.6874
525.0014-1.46240.82723.0265-0.36727.93920.2994-1.0765-0.9361-0.4425-0.04010.12791.0633-1.0103-0.1281.0649-0.1271-0.09380.56210.04320.74333.8744-5.8547117.563
533.60244.3238-5.4169.7728-6.19338.57170.2276-0.595-0.4085-0.02990.38511.24780.382-2.0124-0.56131.369-0.0201-0.0051.5974-0.00140.9783-4.288-2.4229124.5465
545.0691-0.4093-1.27753.8378-0.07732.090.05360.35850.6848-0.2962-0.08230.7029-0.1146-1.0539-0.3111.01870.1717-0.13550.609-0.0240.76963.44112.8855107.4509
557.4439-1.8951-0.55767.02092.94729.28990.28050.43-0.9961-0.6231-0.49530.91640.5475-1.9708-0.28870.8211-0.1318-0.08981.04090.12091.1202-2.9232-3.797109.4538
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 4 through 76 )A4 - 76
2X-RAY DIFFRACTION2chain 'A' and (resid 77 through 117 )A77 - 117
3X-RAY DIFFRACTION3chain 'A' and (resid 118 through 268 )A118 - 268
4X-RAY DIFFRACTION4chain 'B' and (resid -4 through 4 )B-4 - 4
5X-RAY DIFFRACTION5chain 'B' and (resid 5 through 12 )B5 - 12
6X-RAY DIFFRACTION6chain 'B' and (resid 13 through 30 )B13 - 30
7X-RAY DIFFRACTION7chain 'B' and (resid 31 through 35 )B31 - 35
8X-RAY DIFFRACTION8chain 'B' and (resid 36 through 40 )B36 - 40
9X-RAY DIFFRACTION9chain 'B' and (resid 41 through 45 )B41 - 45
10X-RAY DIFFRACTION10chain 'B' and (resid 46 through 67 )B46 - 67
11X-RAY DIFFRACTION11chain 'B' and (resid 68 through 78 )B68 - 78
12X-RAY DIFFRACTION12chain 'B' and (resid 79 through 87 )B79 - 87
13X-RAY DIFFRACTION13chain 'B' and (resid 88 through 97 )B88 - 97
14X-RAY DIFFRACTION14chain 'C' and (resid 4 through 76 )C4 - 76
15X-RAY DIFFRACTION15chain 'C' and (resid 77 through 101 )C77 - 101
16X-RAY DIFFRACTION16chain 'C' and (resid 102 through 237 )C102 - 237
17X-RAY DIFFRACTION17chain 'C' and (resid 238 through 267 )C238 - 267
18X-RAY DIFFRACTION18chain 'D' and (resid -4 through 4 )D-4 - 4
19X-RAY DIFFRACTION19chain 'D' and (resid 5 through 20 )D5 - 20
20X-RAY DIFFRACTION20chain 'D' and (resid 21 through 30 )D21 - 30
21X-RAY DIFFRACTION21chain 'D' and (resid 31 through 40 )D31 - 40
22X-RAY DIFFRACTION22chain 'D' and (resid 41 through 51 )D41 - 51
23X-RAY DIFFRACTION23chain 'D' and (resid 52 through 72 )D52 - 72
24X-RAY DIFFRACTION24chain 'D' and (resid 73 through 87 )D73 - 87
25X-RAY DIFFRACTION25chain 'D' and (resid 88 through 97 )D88 - 97
26X-RAY DIFFRACTION26chain 'E' and (resid 4 through 63 )E4 - 63
27X-RAY DIFFRACTION27chain 'E' and (resid 64 through 101 )E64 - 101
28X-RAY DIFFRACTION28chain 'E' and (resid 102 through 237 )E102 - 237
29X-RAY DIFFRACTION29chain 'E' and (resid 238 through 268 )E238 - 268
30X-RAY DIFFRACTION30chain 'F' and (resid -4 through 4 )F-4 - 4
31X-RAY DIFFRACTION31chain 'F' and (resid 5 through 20 )F5 - 20
32X-RAY DIFFRACTION32chain 'F' and (resid 21 through 35 )F21 - 35
33X-RAY DIFFRACTION33chain 'F' and (resid 36 through 40 )F36 - 40
34X-RAY DIFFRACTION34chain 'F' and (resid 41 through 51 )F41 - 51
35X-RAY DIFFRACTION35chain 'F' and (resid 52 through 67 )F52 - 67
36X-RAY DIFFRACTION36chain 'F' and (resid 68 through 78 )F68 - 78
37X-RAY DIFFRACTION37chain 'F' and (resid 79 through 87 )F79 - 87
38X-RAY DIFFRACTION38chain 'F' and (resid 88 through 97 )F88 - 97
39X-RAY DIFFRACTION39chain 'G' and (resid 4 through 20 )G4 - 20
40X-RAY DIFFRACTION40chain 'G' and (resid 21 through 46 )G21 - 46
41X-RAY DIFFRACTION41chain 'G' and (resid 47 through 76 )G47 - 76
42X-RAY DIFFRACTION42chain 'G' and (resid 77 through 101 )G77 - 101
43X-RAY DIFFRACTION43chain 'G' and (resid 102 through 194 )G102 - 194
44X-RAY DIFFRACTION44chain 'G' and (resid 195 through 247 )G195 - 247
45X-RAY DIFFRACTION45chain 'G' and (resid 248 through 268 )G248 - 268
46X-RAY DIFFRACTION46chain 'H' and (resid -4 through 12 )H-4 - 12
47X-RAY DIFFRACTION47chain 'H' and (resid 13 through 20 )H13 - 20
48X-RAY DIFFRACTION48chain 'H' and (resid 21 through 30 )H21 - 30
49X-RAY DIFFRACTION49chain 'H' and (resid 31 through 35 )H31 - 35
50X-RAY DIFFRACTION50chain 'H' and (resid 36 through 40 )H36 - 40
51X-RAY DIFFRACTION51chain 'H' and (resid 41 through 51 )H41 - 51
52X-RAY DIFFRACTION52chain 'H' and (resid 52 through 67 )H52 - 67
53X-RAY DIFFRACTION53chain 'H' and (resid 68 through 72 )H68 - 72
54X-RAY DIFFRACTION54chain 'H' and (resid 73 through 88 )H73 - 88
55X-RAY DIFFRACTION55chain 'H' and (resid 89 through 97 )H89 - 97

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