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- PDB-5vbf: Crystal structure of succinate semialdehyde dehydrogenase from Bu... -

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Basic information

Entry
Database: PDB / ID: 5vbf
TitleCrystal structure of succinate semialdehyde dehydrogenase from Burkholderia vietnamiensis
ComponentsNAD-dependent succinate-semialdehyde dehydrogenase
KeywordsOXIDOREDUCTASE / SSGCID / succinate semialdehyde dehydrogenase / Burkholderia vietnamiensis / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
Function / homology
Function and homology information


succinate-semialdehyde dehydrogenase [NAD(P)+] activity / succinate-semialdehyde dehydrogenase [NAD(P)+] / oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Similarity search - Function
: / Aldehyde Dehydrogenase; Chain A, domain 2 / Aldehyde Dehydrogenase; Chain A, domain 2 / Aldehyde Dehydrogenase; Chain A, domain 1 / Aldehyde Dehydrogenase; Chain A, domain 1 / Aldehyde dehydrogenase domain / Aldehyde dehydrogenase family / Aldehyde dehydrogenase, C-terminal / Aldehyde dehydrogenase, N-terminal / Aldehyde/histidinol dehydrogenase ...: / Aldehyde Dehydrogenase; Chain A, domain 2 / Aldehyde Dehydrogenase; Chain A, domain 2 / Aldehyde Dehydrogenase; Chain A, domain 1 / Aldehyde Dehydrogenase; Chain A, domain 1 / Aldehyde dehydrogenase domain / Aldehyde dehydrogenase family / Aldehyde dehydrogenase, C-terminal / Aldehyde dehydrogenase, N-terminal / Aldehyde/histidinol dehydrogenase / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
FORMIC ACID / NAD-dependent succinate-semialdehyde dehydrogenase / Succinate semialdehyde dehydrogenase
Similarity search - Component
Biological speciesBurkholderia vietnamiensis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.35 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: to be published
Title: Crystal structure of succinate semialdehyde dehydrogenase from Burkholderia vietnamiensis
Authors: Conrady, D.G. / Fox III, D. / Lorimer, D.D. / Edwards, T.E.
History
DepositionMar 29, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 12, 2017Provider: repository / Type: Initial release
Revision 1.1Oct 4, 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

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Assembly

Deposited unit
A: NAD-dependent succinate-semialdehyde dehydrogenase
B: NAD-dependent succinate-semialdehyde dehydrogenase
C: NAD-dependent succinate-semialdehyde dehydrogenase
D: NAD-dependent succinate-semialdehyde dehydrogenase
E: NAD-dependent succinate-semialdehyde dehydrogenase
F: NAD-dependent succinate-semialdehyde dehydrogenase
G: NAD-dependent succinate-semialdehyde dehydrogenase
H: NAD-dependent succinate-semialdehyde dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)413,46336
Polymers410,9808
Non-polymers2,48328
Water52,6042920
1
A: NAD-dependent succinate-semialdehyde dehydrogenase
B: NAD-dependent succinate-semialdehyde dehydrogenase
C: NAD-dependent succinate-semialdehyde dehydrogenase
D: NAD-dependent succinate-semialdehyde dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)206,73218
Polymers205,4904
Non-polymers1,24114
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20770 Å2
ΔGint-59 kcal/mol
Surface area57660 Å2
MethodPISA
2
E: NAD-dependent succinate-semialdehyde dehydrogenase
F: NAD-dependent succinate-semialdehyde dehydrogenase
G: NAD-dependent succinate-semialdehyde dehydrogenase
H: NAD-dependent succinate-semialdehyde dehydrogenase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)206,73218
Polymers205,4904
Non-polymers1,24114
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20850 Å2
ΔGint-58 kcal/mol
Surface area56910 Å2
MethodPISA
Unit cell
Length a, b, c (Å)106.620, 191.760, 219.800
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
11(chain A and ((resid 8 and (name N or name...
21(chain B and ((resid 8 and (name N or name...
31(chain C and (resid 8 through 12 or resid 14...
41(chain D and (resid 8 through 12 or resid 14...
51(chain E and (resid 8 through 12 or resid 14...
61(chain F and (resid 8 through 12 or resid 14...
71(chain G and ((resid 8 and (name N or name...
81(chain H and ((resid 8 and (name N or name...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ASPASPASPASP(chain A and ((resid 8 and (name N or name...AA83
12ARGARGASNASN(chain A and ((resid 8 and (name N or name...AA6 - 4831 - 478
13ARGARGASNASN(chain A and ((resid 8 and (name N or name...AA6 - 4831 - 478
14ARGARGASNASN(chain A and ((resid 8 and (name N or name...AA6 - 4831 - 478
15ARGARGASNASN(chain A and ((resid 8 and (name N or name...AA6 - 4831 - 478
21ASPASPASPASP(chain B and ((resid 8 and (name N or name...BB83
22ARGARGASNASN(chain B and ((resid 8 and (name N or name...BB6 - 4831 - 478
23ARGARGASNASN(chain B and ((resid 8 and (name N or name...BB6 - 4831 - 478
24ARGARGASNASN(chain B and ((resid 8 and (name N or name...BB6 - 4831 - 478
25ARGARGASNASN(chain B and ((resid 8 and (name N or name...BB6 - 4831 - 478
31ASPASPLEULEU(chain C and (resid 8 through 12 or resid 14...CC8 - 123 - 7
32LEULEUGLYGLY(chain C and (resid 8 through 12 or resid 14...CC14 - 189 - 13
33ARGARGARGARG(chain C and (resid 8 through 12 or resid 14...CC1914
34ASPASPASNASN(chain C and (resid 8 through 12 or resid 14...CC8 - 4833 - 478
35ASPASPASNASN(chain C and (resid 8 through 12 or resid 14...CC8 - 4833 - 478
36ASPASPASNASN(chain C and (resid 8 through 12 or resid 14...CC8 - 4833 - 478
37ASPASPASNASN(chain C and (resid 8 through 12 or resid 14...CC8 - 4833 - 478
41ASPASPLEULEU(chain D and (resid 8 through 12 or resid 14...DD8 - 123 - 7
42LEULEUHISHIS(chain D and (resid 8 through 12 or resid 14...DD14 - 219 - 16
43ALAALAASPASP(chain D and (resid 8 through 12 or resid 14...DD23 - 2418 - 19
44HISHISASNASN(chain D and (resid 8 through 12 or resid 14...DD7 - 4832 - 478
45HISHISASNASN(chain D and (resid 8 through 12 or resid 14...DD7 - 4832 - 478
46HISHISASNASN(chain D and (resid 8 through 12 or resid 14...DD7 - 4832 - 478
47HISHISASNASN(chain D and (resid 8 through 12 or resid 14...DD7 - 4832 - 478
51ASPASPLEULEU(chain E and (resid 8 through 12 or resid 14...EE8 - 123 - 7
52LEULEUHISHIS(chain E and (resid 8 through 12 or resid 14...EE14 - 219 - 16
53ALAALAASPASP(chain E and (resid 8 through 12 or resid 14...EE23 - 2418 - 19
54ASPASPASNASN(chain E and (resid 8 through 12 or resid 14...EE8 - 4833 - 478
55ASPASPASNASN(chain E and (resid 8 through 12 or resid 14...EE8 - 4833 - 478
56ASPASPASNASN(chain E and (resid 8 through 12 or resid 14...EE8 - 4833 - 478
57ASPASPASNASN(chain E and (resid 8 through 12 or resid 14...EE8 - 4833 - 478
61ASPASPLEULEU(chain F and (resid 8 through 12 or resid 14...FF8 - 123 - 7
62LEULEUHISHIS(chain F and (resid 8 through 12 or resid 14...FF14 - 219 - 16
63ALAALAASPASP(chain F and (resid 8 through 12 or resid 14...FF23 - 2418 - 19
64ASPASPASNASN(chain F and (resid 8 through 12 or resid 14...FF8 - 4833 - 478
65ASPASPASNASN(chain F and (resid 8 through 12 or resid 14...FF8 - 4833 - 478
66ASPASPASNASN(chain F and (resid 8 through 12 or resid 14...FF8 - 4833 - 478
67ASPASPASNASN(chain F and (resid 8 through 12 or resid 14...FF8 - 4833 - 478
71ASPASPASPASP(chain G and ((resid 8 and (name N or name...GG83
72HISHISASNASN(chain G and ((resid 8 and (name N or name...GG7 - 4832 - 478
73HISHISASNASN(chain G and ((resid 8 and (name N or name...GG7 - 4832 - 478
74HISHISASNASN(chain G and ((resid 8 and (name N or name...GG7 - 4832 - 478
75HISHISASNASN(chain G and ((resid 8 and (name N or name...GG7 - 4832 - 478
81ASPASPASPASP(chain H and ((resid 8 and (name N or name...HH83
82HISHISASNASN(chain H and ((resid 8 and (name N or name...HH7 - 4832 - 478
83HISHISASNASN(chain H and ((resid 8 and (name N or name...HH7 - 4832 - 478
84HISHISASNASN(chain H and ((resid 8 and (name N or name...HH7 - 4832 - 478
85HISHISASNASN(chain H and ((resid 8 and (name N or name...HH7 - 4832 - 478

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein
NAD-dependent succinate-semialdehyde dehydrogenase


Mass: 51372.559 Da / Num. of mol.: 8 / Fragment: BuviA.00020.v.B1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Burkholderia vietnamiensis (bacteria) / Gene: WK24_04400 / Plasmid: BuviA.00104.b.B2 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0A132DEP7, UniProt: A4JQH6*PLUS

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Non-polymers , 5 types, 2948 molecules

#2: Chemical
ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#3: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical
ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: CH2O2
#5: Chemical
ChemComp-UNX / UNKNOWN ATOM OR ION


Num. of mol.: 8 / Source method: obtained synthetically
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 2920 / 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: 2.73 Å3/Da / Density % sol: 55.01 %
Crystal growTemperature: 290 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: Rigaku Reagents Morpheus Screen G3: 0.020M Sodium Formate, 0.020M Ammonium Acetate, 0.020M Sodium Citrate, 0.020M Sodium Tartrate, 0.020M Sodium Oxamate, 0.1 M Imidazole/MES pH 6.5, 20% ...Details: Rigaku Reagents Morpheus Screen G3: 0.020M Sodium Formate, 0.020M Ammonium Acetate, 0.020M Sodium Citrate, 0.020M Sodium Tartrate, 0.020M Sodium Oxamate, 0.1 M Imidazole/MES pH 6.5, 20% glycerol, 10% PEG 4000: BuviA.00020.v.B1.PS02593 at 14 mg/ml

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Jun 22, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.35→48.166 Å / Num. obs: 184886 / % possible obs: 98.7 % / Observed criterion σ(I): -3 / Redundancy: 6.379 % / Biso Wilson estimate: 16.72 Å2 / CC1/2: 0.991 / Rmerge(I) obs: 0.158 / Rrim(I) all: 0.172 / Χ2: 0.933 / Net I/σ(I): 10.69
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
2.35-2.416.3350.5173.93137070.8690.56499.7
2.41-2.486.3510.4794.23133130.880.52299.8
2.48-2.556.360.4164.76130010.9080.45399.7
2.55-2.636.370.3715.25126000.9280.40499.6
2.63-2.716.3560.3086.23122240.9470.33599.5
2.71-2.816.3640.2726.94118270.9580.29699.4
2.81-2.916.3930.2447.65113450.9660.26599.2
2.91-3.036.3760.2198.47109770.9710.23899.1
3.03-3.176.4020.18110.01104780.980.19798.8
3.17-3.326.3810.15311.49100270.9860.16698.7
3.32-3.56.4160.12413.7794830.990.13498.5
3.5-3.726.40.1115.0890520.9920.1298.5
3.72-3.976.4140.09417.1284970.9930.10398.3
3.97-4.296.4140.08418.8778950.9940.09197.9
4.29-4.76.4350.07420.6472610.9950.08197.8
4.7-5.256.4170.07719.9165710.9950.08497.6
5.25-6.076.4410.08817.6658090.9940.09596.9
6.07-7.436.4180.08118.7948990.9950.08896.2
7.43-10.516.3450.06224.4138180.9970.06794.9
10.51-48.16660.06323.7621020.9950.06990.6

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
XSCALEdata scaling
PHENIXdev_2689refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
MoRDaphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3JZ4

3jz4


Resolution: 2.35→48.166 Å / SU ML: 0.23 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.59
RfactorNum. reflection% reflection
Rfree0.196 1984 1.07 %
Rwork0.1471 --
obs0.1476 184837 98.66 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 106.78 Å2 / Biso mean: 19.9614 Å2 / Biso min: 1.48 Å2
Refinement stepCycle: final / Resolution: 2.35→48.166 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms28535 0 164 2923 31622
Biso mean--41.89 25.87 -
Num. residues----3815
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00729668
X-RAY DIFFRACTIONf_angle_d0.84640400
X-RAY DIFFRACTIONf_chiral_restr0.0524471
X-RAY DIFFRACTIONf_plane_restr0.0065377
X-RAY DIFFRACTIONf_dihedral_angle_d13.93317792
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A16492X-RAY DIFFRACTION7.102TORSIONAL
12B16492X-RAY DIFFRACTION7.102TORSIONAL
13C16492X-RAY DIFFRACTION7.102TORSIONAL
14D16492X-RAY DIFFRACTION7.102TORSIONAL
15E16492X-RAY DIFFRACTION7.102TORSIONAL
16F16492X-RAY DIFFRACTION7.102TORSIONAL
17G16492X-RAY DIFFRACTION7.102TORSIONAL
18H16492X-RAY DIFFRACTION7.102TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.3499-2.40870.24481420.18411305313195100
2.4087-2.47380.23971490.17721308313232100
2.4738-2.54660.22091520.16981306013212100
2.5466-2.62880.23121510.16691305413205100
2.6288-2.72270.23581290.1606130701319999
2.7227-2.83170.23041360.1625130451318199
2.8317-2.96060.21111210.1607131211324299
2.9606-3.11670.21561560.1591130041316099
3.1167-3.31190.19281340.1526130511318599
3.3119-3.56750.18871460.1397130061315298
3.5675-3.92640.17331390.1356131041324398
3.9264-4.49420.1631290.1149130261315598
4.4942-5.66080.14971510.1195130561320797
5.6608-48.17610.17551490.1444131201326995
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)
11.5897-0.133-0.01231.09660.23150.51910.0516-0.15110.23590.049-0.01680.036-0.17880.0482-0.06070.1844-0.0240.00910.1078-0.03590.136919.891719.2493-14.8224
20.1153-0.0510.02370.33280.15090.22380.0192-0.0330.02630.0507-0.01290.0387-0.0195-0.0403-0.01160.138-0.00720.01510.1202-0.00690.106812.96091.4667-19.8659
31.79590.32231.3981.34440.7633.63630.0209-0.01530.187-0.0267-0.10780.1811-0.2477-0.21810.10370.15260.03150.05450.1576-0.03090.1734-10.76427.3432-16.3592
41.84930.2056-0.36580.2204-0.03920.2113-0.0019-0.02570.01030.0294-0.00970.04580.0026-0.01820.01710.1226-0.00840.00580.1261-0.0150.10295.1799-9.655-28.5821
50.95870.0810.08931.1942-0.63891.1707-0.04150.1076-0.0063-0.11490.02930.03390.0102-0.05770.0110.0872-0.0176-0.01520.1081-0.0340.075811.247-9.81-62.9
60.20030.02480.05780.24010.00050.21010.00480.00090.00870.0048-0.0238-0.0073-0.0035-0.02960.01470.09760.0003-0.0020.11610.00070.105218.9193-6.462-49.8733
71.7550.78580.71231.38350.41562.0755-0.04060.08010.0999-0.0531-0.0150.0066-0.1176-0.01220.05670.0803-0.00280.03080.11090.03490.107740.35877.8989-61.0726
81.30910.2776-0.53360.08490.01720.6503-0.01290.0436-0.03710.01770.02550.0110.00760.0115-0.01310.1202-0.0051-0.01050.09510.00640.089831.4296-3.6764-39.9191
90.57220.44780.0192.0146-0.10280.2218-0.00370.0211-0.0786-0.07450.0414-0.1540.00670.0241-0.03960.1195-0.00180.04130.1003-0.01980.078630.8108-48.1914-48.3233
100.32620.29970.07930.78380.27150.08120.0327-0.0229-0.06560.0389-0.0132-0.10940.01250.0182-0.02180.11410.00640.01010.09990.01090.116730.4416-38.7247-39.2844
112.0608-0.64070.06430.2489-0.11020.1494-0.0175-0.1690.10510.03750.0459-0.01550.002-0.0057-0.02020.155-0.01820.00680.1067-0.00830.145414.9445-45.0117-27.9329
121.0720.0153-0.44071.06130.59862.55640.0303-0.1048-0.15360.1358-0.03370.06940.23440.0259-0.00120.1139-0.0089-0.0010.09390.040.14633.5576-56.042-28.1899
132.80860.387-0.02041.1297-0.26941.0141-0.1069-0.1346-0.04260.2425-0.03480.04480.0529-0.00640.09280.15590.00760.01290.1399-0.01440.0746.9316-37.2918-19.3293
142.24511.095-0.03420.57080.08070.1691-0.0278-0.0295-0.1355-0.0361-0.0281-0.0366-0.05510.02950.0640.1685-0.00780.00980.11120.00550.090125.6089-30.8002-30.3791
151.2697-0.14350.38210.5738-0.25950.53880.0465-0.2453-0.11180.1515-0.0269-0.02750.0521-0.0951-0.01740.2218-0.01390.00020.19390.02220.079934.7199-26.96833.0342
160.1434-0.11990.00910.07820.01720.1743-0.0206-0.0638-0.04960.0580.0269-0.01260.06110.024-0.00890.1869-0.0048-0.01160.16040.01870.120736.0494-27.1142-12.2793
171.0174-0.0604-0.47960.65990.11972.82690.003-0.0811-0.08960.15760.0185-0.17370.21670.3013-0.01030.15520.0277-0.06010.18530.01310.156863.9064-25.2956-14.6604
182.16630.5361-0.37360.20630.13020.099-0.0069-0.0272-0.07260.03040.02340.00850.0380.0055-0.01630.14760.0178-0.00180.12370.01240.086541.4768-24.0152-27.2375
191.1412-0.0511-0.01870.9693-0.39360.8232-0.0512-0.20210.00620.19810.10220.0839-0.0134-0.0544-0.05080.17190.04860.03430.1663-0.01170.0989-38.5246-32.2627-49.9827
200.2479-0.0760.03120.3741-0.0110.5512-0.0364-0.0361-0.00670.04980.06020.04160.058-0.0183-0.03010.13120.00650.00890.12080.01350.1294-36.8108-31.8339-62.8774
212.89010.44730.03840.49760.10590.1617-0.0362-0.0470.0416-0.01690.0262-0.04260.14690.0097-0.01030.19320.0138-0.0130.17610.00930.1343-26.3296-44.9598-68.8089
221.49370.818-0.42290.8992-0.30540.6453-0.0030.0310.10750.15440.0669-0.15820.08130.0827-0.02480.16530.0454-0.0760.17560.00730.1672-10.0544-38.9827-58.2151
231.4841-1.0162-0.7632.44792.59646.4409-0.024-0.1629-0.0440.10570.056-0.18890.11210.3415-0.03660.12170.0315-0.03840.08540.02270.2209-0.4249-44.9398-61.3185
242.2257-0.6988-0.69142.95520.95731.9427-0.0679-0.2082-0.05830.28970.06520.10960.0816-0.16760.01010.20570.0623-0.05340.18840.03310.1177-15.6942-48.4992-48.1447
252.421-0.4273-0.461.7651-0.05881.4385-0.0949-0.2203-0.27190.0830.0497-0.07790.20440.03230.01270.1720.0462-0.04430.12340.02690.1485-9.6169-52.4288-56.6441
262.29720.38390.17791.0669-0.15640.89980.0113-0.0313-0.18130.03990.0076-0.13490.17620.1195-0.03440.16430.0328-0.02130.1171-0.01860.1186-10.1891-41.9377-75.0772
272.003-0.13920.68890.19080.15080.4499-0.0632-0.02190.06060.05970.00210.0248-0.02470.06570.05740.1450.0168-0.00890.1371-0.00820.136-30.4334-31.5634-74.0522
281.4473-0.2184-0.11441.17160.03970.19620.03220.1326-0.1812-0.2394-0.01770.07230.0883-0.0922-0.02060.2727-0.0277-0.04590.125-0.02250.1271-33.3937-52.0592-101.8998
290.28880.0598-0.02260.64130.10690.2376-0.00630.0052-0.0671-0.07990.02550.04930.097-0.0622-0.02360.165-0.0089-0.02950.1054-0.00370.1548-31.8478-43.6204-91.9928
303.2613-2.98031.35283.2318-1.52960.9166-0.0988-0.02270.35330.0397-0.0142-0.11360.03050.02130.1140.1766-0.0296-0.04790.1504-0.02380.1838-46.41-42.1441-82.0774
311.2061-0.0788-0.09531.29120.77471.35260.06070.1356-0.1631-0.1007-0.01870.43690.1221-0.13810.01770.1923-0.0607-0.13120.21480.01660.3711-62.5795-39.3806-96.6434
322.03-0.0951-0.15211.09140.33751.7483-0.08580.072-0.28-0.0191-0.13520.64370.203-0.2120.03850.2304-0.0901-0.0970.19280.00930.5208-66.2974-45.8445-92.5227
331.4248-0.24220.14161.5680.10481.0581-0.0179-0.0726-0.06450.08170.04150.32440.1152-0.1383-0.00460.1589-0.0151-0.03550.130.01290.2112-58.2348-27.9932-82.48
341.4484-0.90070.4730.5739-0.44040.39890.0370.029-0.0569-0.07990.00410.06990.01480.0685-0.03360.1732-0.02130.00180.1022-0.02120.1622-34.4968-33.5952-84.3749
351.3170.18630.1840.9111-0.00210.42560.00520.24470.0441-0.24070.0238-0.0333-0.02450.0281-0.02960.201-0.004-0.00010.14590.02670.0921-20.702-10.8444-116.4514
360.33420.0568-0.09220.26890.03940.357-0.0020.01250.0457-0.07910.0435-0.04790.01440.0133-0.0520.15630.0123-0.00560.12030.01670.1317-18.3026-11.6066-101.1151
371.2693-0.18950.53060.9180.13672.4970.0840.10410.1306-0.1976-0.0216-0.2735-0.14310.4013-0.04140.1308-0.01070.06380.2244-0.01180.26239.858-13.0169-100.4205
382.3188-0.52610.44890.42960.01290.1645-0.0023-0.06430.0598-0.05370.0025-0.0528-0.01720.0136-0.00130.121-0.0125-0.00350.1131-0.00740.1175-11.7529-15.3578-87.0256
390.7151-0.4445-0.14512.05970.04180.17330.0421-0.04710.050.08850.024-0.17180.00620.0686-0.06660.09830.0027-0.03280.1106-0.0270.102-20.75197.2948-63.5782
400.1258-0.1064-0.02350.39880.09280.16390.0150.04310.0510.00310.0199-0.07770.00530.0122-0.04290.0954-0.0016-0.00990.1086-0.00010.1528-26.65350.1804-76.0327
411.08680.00310.34811.23890.58242.92380.07760.07560.1167-0.1509-0.03220.0459-0.2559-0.011-0.02530.11570.02460.01060.09440.02870.1635-49.325515.9489-81.0881
421.6942-1.0834-0.16280.95620.15040.29970.00990.04290.04640.01150.00050.01890.00640.017-0.01050.1272-0.0071-0.01990.10030.01170.0964-37.1677-5.8866-86.7206
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 6 through 67 )A6 - 67
2X-RAY DIFFRACTION2chain 'A' and (resid 68 through 316 )A68 - 316
3X-RAY DIFFRACTION3chain 'A' and (resid 317 through 391 )A317 - 391
4X-RAY DIFFRACTION4chain 'A' and (resid 392 through 483 )A392 - 483
5X-RAY DIFFRACTION5chain 'B' and (resid 6 through 102 )B6 - 102
6X-RAY DIFFRACTION6chain 'B' and (resid 103 through 292 )B103 - 292
7X-RAY DIFFRACTION7chain 'B' and (resid 293 through 400 )B293 - 400
8X-RAY DIFFRACTION8chain 'B' and (resid 401 through 483 )B401 - 483
9X-RAY DIFFRACTION9chain 'C' and (resid 8 through 102 )C8 - 102
10X-RAY DIFFRACTION10chain 'C' and (resid 103 through 235 )C103 - 235
11X-RAY DIFFRACTION11chain 'C' and (resid 236 through 292 )C236 - 292
12X-RAY DIFFRACTION12chain 'C' and (resid 293 through 400 )C293 - 400
13X-RAY DIFFRACTION13chain 'C' and (resid 401 through 441 )C401 - 441
14X-RAY DIFFRACTION14chain 'C' and (resid 442 through 483 )C442 - 483
15X-RAY DIFFRACTION15chain 'D' and (resid 7 through 102 )D7 - 102
16X-RAY DIFFRACTION16chain 'D' and (resid 103 through 292 )D103 - 292
17X-RAY DIFFRACTION17chain 'D' and (resid 293 through 400 )D293 - 400
18X-RAY DIFFRACTION18chain 'D' and (resid 401 through 483 )D401 - 483
19X-RAY DIFFRACTION19chain 'E' and (resid 8 through 102 )E8 - 102
20X-RAY DIFFRACTION20chain 'E' and (resid 103 through 235 )E103 - 235
21X-RAY DIFFRACTION21chain 'E' and (resid 236 through 270 )E236 - 270
22X-RAY DIFFRACTION22chain 'E' and (resid 271 through 292 )E271 - 292
23X-RAY DIFFRACTION23chain 'E' and (resid 293 through 316 )E293 - 316
24X-RAY DIFFRACTION24chain 'E' and (resid 317 through 350 )E317 - 350
25X-RAY DIFFRACTION25chain 'E' and (resid 351 through 400 )E351 - 400
26X-RAY DIFFRACTION26chain 'E' and (resid 401 through 441 )E401 - 441
27X-RAY DIFFRACTION27chain 'E' and (resid 442 through 483 )E442 - 483
28X-RAY DIFFRACTION28chain 'F' and (resid 8 through 102 )F8 - 102
29X-RAY DIFFRACTION29chain 'F' and (resid 103 through 235 )F103 - 235
30X-RAY DIFFRACTION30chain 'F' and (resid 236 through 270 )F236 - 270
31X-RAY DIFFRACTION31chain 'F' and (resid 271 through 350 )F271 - 350
32X-RAY DIFFRACTION32chain 'F' and (resid 351 through 391 )F351 - 391
33X-RAY DIFFRACTION33chain 'F' and (resid 392 through 441 )F392 - 441
34X-RAY DIFFRACTION34chain 'F' and (resid 442 through 483 )F442 - 483
35X-RAY DIFFRACTION35chain 'G' and (resid 7 through 102 )G7 - 102
36X-RAY DIFFRACTION36chain 'G' and (resid 103 through 292 )G103 - 292
37X-RAY DIFFRACTION37chain 'G' and (resid 293 through 400 )G293 - 400
38X-RAY DIFFRACTION38chain 'G' and (resid 401 through 483 )G401 - 483
39X-RAY DIFFRACTION39chain 'H' and (resid 7 through 102 )H7 - 102
40X-RAY DIFFRACTION40chain 'H' and (resid 103 through 292 )H103 - 292
41X-RAY DIFFRACTION41chain 'H' and (resid 293 through 400 )H293 - 400
42X-RAY DIFFRACTION42chain 'H' and (resid 401 through 483 )H401 - 483

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