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- PDB-6t2b: Glycoside hydrolase family 109 from Akkermansia muciniphila in co... -

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Basic information

Entry
Database: PDB / ID: 6t2b
TitleGlycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
ComponentsGlycosyl hydrolase family 109 protein 2
KeywordsHYDROLASE / Glycoside hydrolase / inverting / retaining
Function / homology
Function and homology information


Hydrolases; Glycosylases; Glycosidases, i.e. enzymes that hydrolyse O- and S-glycosyl compounds / hydrolase activity, acting on glycosyl bonds / metabolic process / nucleotide binding
Similarity search - Function
Gfo/Idh/MocA-like oxidoreductase, N-terminal / Oxidoreductase family, NAD-binding Rossmann fold / Twin-arginine translocation pathway, signal sequence, bacterial/archaeal / Twin arginine translocation (Tat) signal profile. / Twin-arginine translocation pathway, signal sequence / NAD(P)-binding domain superfamily
Similarity search - Domain/homology
2-acetamido-2-deoxy-alpha-D-galactopyranose / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / TRIETHYLENE GLYCOL / Glycosyl hydrolase family 109 protein 2 / Glycosyl hydrolase family 109 protein 2
Similarity search - Component
Biological speciesAkkermansia muciniphila (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.13 Å
AuthorsChaberski, E.K. / Fredslund, F. / Teze, D. / Shuoker, B. / Kunstmann, S. / Karlsson, E.N. / Hachem, M.A. / Welner, D.H.
Funding support Denmark, 1items
OrganizationGrant numberCountry
Novo Nordisk FoundationNNF10CC1016517 Denmark
CitationJournal: Acs Catalysis / Year: 2020
Title: The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Authors: Teze, D. / Shuoker, B. / Chaberski, E.K. / Kunstmann, S. / Fredslund, F. / Nielsen, T.S. / Stender, E.G.P. / Peters, G.H.J. / Nordberg Karlsson, E. / Welner, D.H. / Abou Hachem, M.
History
DepositionOct 8, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 26, 2020Provider: repository / Type: Initial release
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_site / struct_site_gen
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _chem_comp.name / _entity.pdbx_description / _pdbx_entity_nonpoly.name
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Jan 24, 2024Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _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: Glycosyl hydrolase family 109 protein 2
B: Glycosyl hydrolase family 109 protein 2
C: Glycosyl hydrolase family 109 protein 2
D: Glycosyl hydrolase family 109 protein 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)205,98214
Polymers202,0554
Non-polymers3,92710
Water22,4471246
1
A: Glycosyl hydrolase family 109 protein 2
C: Glycosyl hydrolase family 109 protein 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,1858
Polymers101,0282
Non-polymers2,1586
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7430 Å2
ΔGint-24 kcal/mol
Surface area30510 Å2
MethodPISA
2
B: Glycosyl hydrolase family 109 protein 2
D: Glycosyl hydrolase family 109 protein 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)102,7976
Polymers101,0282
Non-polymers1,7694
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7030 Å2
ΔGint-28 kcal/mol
Surface area30360 Å2
MethodPISA
Unit cell
Length a, b, c (Å)66.110, 182.640, 70.870
Angle α, β, γ (deg.)90.000, 90.139, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41

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
11ILEILESERSER(chain 'A' and (resid 34 through 43 or resid 49...AA34 - 439 - 18
12PROPROPROPRO(chain 'A' and (resid 34 through 43 or resid 49...AA49 - 6324 - 38
13LEULEULEULEU(chain 'A' and (resid 34 through 43 or resid 49...AA6540
14ILEILEMETMET(chain 'A' and (resid 34 through 43 or resid 49...AA68 - 8643 - 61
15VALVALSERSER(chain 'A' and (resid 34 through 43 or resid 49...AA88 - 11463 - 89
16METMETLEULEU(chain 'A' and (resid 34 through 43 or resid 49...AA116 - 13491 - 109
17GLUGLUMETMET(chain 'A' and (resid 34 through 43 or resid 49...AA136 - 194111 - 169
18GLUGLUTHRTHR(chain 'A' and (resid 34 through 43 or resid 49...AA196 - 237171 - 212
19GLYGLYHISHIS(chain 'A' and (resid 34 through 43 or resid 49...AA239 - 302214 - 277
110TRPTRPGLUGLU(chain 'A' and (resid 34 through 43 or resid 49...AA304 - 374279 - 349
111LYSLYSILEILE(chain 'A' and (resid 34 through 43 or resid 49...AA378 - 394353 - 369
112LEULEUTHRTHR(chain 'A' and (resid 34 through 43 or resid 49...AA397 - 399372 - 374
113METMETLEULEU(chain 'A' and (resid 34 through 43 or resid 49...AA401 - 419376 - 394
114ASNASNASNASN(chain 'A' and (resid 34 through 43 or resid 49...AA421396
115PROPROGLYGLY(chain 'A' and (resid 34 through 43 or resid 49...AA424 - 449399 - 424
116PROPROVALVAL(chain 'A' and (resid 34 through 43 or resid 49...AA452 - 472427 - 447
117HOHHOHHOHHOH(chain 'A' and (resid 34 through 43 or resid 49...AO625
218ILEILESERSER(chain 'B' and (resid 34 through 43 or resid 49...BB34 - 439 - 18
219PROPROPROPRO(chain 'B' and (resid 34 through 43 or resid 49...BB49 - 6324 - 38
220LEULEULEULEU(chain 'B' and (resid 34 through 43 or resid 49...BB6540
221ILEILEMETMET(chain 'B' and (resid 34 through 43 or resid 49...BB68 - 8643 - 61
222VALVALSERSER(chain 'B' and (resid 34 through 43 or resid 49...BB88 - 11463 - 89
223METMETLEULEU(chain 'B' and (resid 34 through 43 or resid 49...BB116 - 13491 - 109
224GLUGLUMETMET(chain 'B' and (resid 34 through 43 or resid 49...BB136 - 194111 - 169
225GLUGLUTHRTHR(chain 'B' and (resid 34 through 43 or resid 49...BB196 - 237171 - 212
226GLYGLYHISHIS(chain 'B' and (resid 34 through 43 or resid 49...BB239 - 302214 - 277
227TRPTRPGLUGLU(chain 'B' and (resid 34 through 43 or resid 49...BB304 - 374279 - 349
228LYSLYSILEILE(chain 'B' and (resid 34 through 43 or resid 49...BB378 - 394353 - 369
229LEULEUTHRTHR(chain 'B' and (resid 34 through 43 or resid 49...BB397 - 399372 - 374
230METMETLEULEU(chain 'B' and (resid 34 through 43 or resid 49...BB401 - 419376 - 394
231ASNASNASNASN(chain 'B' and (resid 34 through 43 or resid 49...BB421396
232PROPROGLYGLY(chain 'B' and (resid 34 through 43 or resid 49...BB424 - 449399 - 424
233PROPROVALVAL(chain 'B' and (resid 34 through 43 or resid 49...BB452 - 472427 - 447
234HOHHOHHOHHOH(chain 'B' and (resid 34 through 43 or resid 49...BP625
335ILEILESERSER(chain 'C' and (resid 34 through 43 or resid 49...CC34 - 439 - 18
336PROPROPROPRO(chain 'C' and (resid 34 through 43 or resid 49...CC49 - 6324 - 38
337LEULEULEULEU(chain 'C' and (resid 34 through 43 or resid 49...CC6540
338ILEILEMETMET(chain 'C' and (resid 34 through 43 or resid 49...CC68 - 8643 - 61
339VALVALSERSER(chain 'C' and (resid 34 through 43 or resid 49...CC88 - 11463 - 89
340METMETLEULEU(chain 'C' and (resid 34 through 43 or resid 49...CC116 - 13491 - 109
341GLUGLUMETMET(chain 'C' and (resid 34 through 43 or resid 49...CC136 - 194111 - 169
342GLUGLUTHRTHR(chain 'C' and (resid 34 through 43 or resid 49...CC196 - 237171 - 212
343GLYGLYHISHIS(chain 'C' and (resid 34 through 43 or resid 49...CC239 - 302214 - 277
344TRPTRPGLUGLU(chain 'C' and (resid 34 through 43 or resid 49...CC304 - 374279 - 349
345LYSLYSILEILE(chain 'C' and (resid 34 through 43 or resid 49...CC378 - 394353 - 369
346LEULEUTHRTHR(chain 'C' and (resid 34 through 43 or resid 49...CC397 - 399372 - 374
347METMETLEULEU(chain 'C' and (resid 34 through 43 or resid 49...CC401 - 419376 - 394
348ASNASNASNASN(chain 'C' and (resid 34 through 43 or resid 49...CC421396
349PROPROGLYGLY(chain 'C' and (resid 34 through 43 or resid 49...CC424 - 449399 - 424
350PROPROVALVAL(chain 'C' and (resid 34 through 43 or resid 49...CC452 - 472427 - 447
351HOHHOHHOHHOH(chain 'C' and (resid 34 through 43 or resid 49...CQ625
452ILEILESERSER(chain 'D' and (resid 34 through 43 or resid 49...DD34 - 439 - 18
453PROPROPROPRO(chain 'D' and (resid 34 through 43 or resid 49...DD49 - 6324 - 38
454LEULEULEULEU(chain 'D' and (resid 34 through 43 or resid 49...DD6540
455ILEILEMETMET(chain 'D' and (resid 34 through 43 or resid 49...DD68 - 8643 - 61
456VALVALSERSER(chain 'D' and (resid 34 through 43 or resid 49...DD88 - 11463 - 89
457METMETLEULEU(chain 'D' and (resid 34 through 43 or resid 49...DD116 - 13491 - 109
458GLUGLUMETMET(chain 'D' and (resid 34 through 43 or resid 49...DD136 - 194111 - 169
459GLUGLUTHRTHR(chain 'D' and (resid 34 through 43 or resid 49...DD196 - 237171 - 212
460GLYGLYHISHIS(chain 'D' and (resid 34 through 43 or resid 49...DD239 - 302214 - 277
461TRPTRPGLUGLU(chain 'D' and (resid 34 through 43 or resid 49...DD304 - 374279 - 349
462LYSLYSILEILE(chain 'D' and (resid 34 through 43 or resid 49...DD378 - 394353 - 369
463LEULEUTHRTHR(chain 'D' and (resid 34 through 43 or resid 49...DD397 - 399372 - 374
464METMETLEULEU(chain 'D' and (resid 34 through 43 or resid 49...DD401 - 419376 - 394
465ASNASNASNASN(chain 'D' and (resid 34 through 43 or resid 49...DD421396
466PROPROGLYGLY(chain 'D' and (resid 34 through 43 or resid 49...DD424 - 449399 - 424
467PROPROVALVAL(chain 'D' and (resid 34 through 43 or resid 49...DD452 - 472427 - 447
468HOHHOHHOHHOH(chain 'D' and (resid 34 through 43 or resid 49...DR625

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Components

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Protein / Sugars , 2 types, 8 molecules ABCD

#1: Protein
Glycosyl hydrolase family 109 protein 2


Mass: 50513.750 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Akkermansia muciniphila (bacteria) / Gene: CXU07_04960 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2N8I799, UniProt: B2UQL7*PLUS
#2: Sugar
ChemComp-A2G / 2-acetamido-2-deoxy-alpha-D-galactopyranose / N-acetyl-alpha-D-galactosamine / 2-acetamido-2-deoxy-alpha-D-galactose / 2-acetamido-2-deoxy-D-galactose / 2-acetamido-2-deoxy-galactose / N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE / N-Acetylgalactosamine


Type: D-saccharide, alpha linking / Mass: 221.208 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGalpNAcaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-a-D-galactopyranosamineCOMMON NAMEGMML 1.0
a-D-GalpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GalNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 4 types, 1252 molecules

#3: Chemical
ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Nicotinamide adenine dinucleotide


Mass: 663.425 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C21H27N7O14P2 / Comment: NAD*YM
#4: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#5: Chemical ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 / Polyethylene glycol


Mass: 238.278 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H22O6 / Comment: precipitant*YM
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1246 / 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: 2.12 Å3/Da / Density % sol: 41.91 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 7.1 / Details: 15% PEG 2000 MME 0.1 mM sodium citrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: MAX IV / Beamline: BioMAX / Wavelength: 1.3799 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 12, 2019 / Details: KB mirrors
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.3799 Å / Relative weight: 1
ReflectionResolution: 2.13→70.87 Å / Num. obs: 92335 / % possible obs: 93.6 % / Redundancy: 7.1 % / Biso Wilson estimate: 28.91 Å2 / CC1/2: 0.998 / Net I/σ(I): 11.61
Reflection shellResolution: 2.13→2.201 Å / Num. unique obs: 7967 / CC1/2: 0.714

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
MxCuBEdata collection
XDSMar 15, 2019 (BUILT 20190315)data reduction
XSCALEMar 15, 2019 (BUILT 20190315)data scaling
Cootmodel building
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2IXA

2ixa


Resolution: 2.13→70.87 Å / SU ML: 0.2205 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 20.5572
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1938 1896 2.15 %
Rwork0.158 86261 -
obs0.1588 88157 93.6 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 33.22 Å2
Refinement stepCycle: LAST / Resolution: 2.13→70.87 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13566 0 262 1246 15074
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003914223
X-RAY DIFFRACTIONf_angle_d0.739519265
X-RAY DIFFRACTIONf_chiral_restr0.04562061
X-RAY DIFFRACTIONf_plane_restr0.0052474
X-RAY DIFFRACTIONf_dihedral_angle_d9.21788351
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.13-2.180.3001930.23294647X-RAY DIFFRACTION70.81
2.18-2.240.29081090.21765315X-RAY DIFFRACTION80.73
2.24-2.30.24451280.19855907X-RAY DIFFRACTION89.65
2.3-2.380.22551370.196047X-RAY DIFFRACTION92.08
2.38-2.460.23931500.18416151X-RAY DIFFRACTION94.06
2.46-2.560.24031250.17836238X-RAY DIFFRACTION94.69
2.56-2.680.23781450.17976273X-RAY DIFFRACTION95.88
2.68-2.820.23091450.18016384X-RAY DIFFRACTION96.98
2.82-30.20931440.17236461X-RAY DIFFRACTION98.06
3-3.230.18351430.1756483X-RAY DIFFRACTION98.53
3.23-3.550.19511480.16156524X-RAY DIFFRACTION99.43
3.55-4.070.16091470.13766585X-RAY DIFFRACTION99.75
4.07-5.120.15571420.11736612X-RAY DIFFRACTION99.88
5.12-70.870.16081400.13496634X-RAY DIFFRACTION99.71
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)
15.11546668896-0.4014013874380.7348936217611.455721220640.4289956722322.026908783510.0179012286372-0.111874299279-0.3257726060620.02138266275240.06389858737790.03742689349360.132700254362-0.224790340458-0.06487544806790.291495973245-0.0841742765328-0.05679123123780.2501237320980.02265903039710.2262856521124.7426086575385.978392747510.7991740047
21.244143029550.1419492396220.7153333073641.146027430130.1323962769521.459364149610.00556827652205-0.0588944672743-0.0933906255030.04407282410330.05469796546460.06508874310780.0436694973618-0.131523739897-0.03781283357170.200029970411-0.00394312884552-0.0537416518760.2380406136130.008587409348580.25103972126821.282862452693.324975046326.2236850589
34.494634964630.06712218929041.831717508436.58026929055-0.6046414346827.30367445543-0.310876923517-0.05175724528530.602100591101-0.01170012048660.11037193240.423591414334-0.604564252926-0.6424962359090.2053397532450.289709334913-0.00689327184622-0.1545750287480.317261097990.01315208825990.364563153411.245713012103.09621900411.6643644843
40.675578877961.2259481129-0.5832359241272.67326113269-0.457123117752.78700430428-0.01308129503330.142341220379-0.205543886556-0.09470811825980.0315143606485-0.2198450606210.1953825712440.389255663437-0.03774816321450.2236092288310.00576801163881-0.06469575586080.339247723758-0.07232635548510.37857429955527.842302141685.304510460215.9396918744
52.09560470664-0.245474452589-0.279595045652.06947514355-0.7888242923824.232557804880.03039946505690.218427502866-0.0975861315253-0.115263842021-0.0159881963395-0.0297080567320.124533786231-0.00224177420732-0.01365192845710.1648335825630.01644061145010.01433518718850.238143149224-0.03129405567350.20121497590622.071303732240.448990411240.7204315186
60.920767181374-0.0354810336765-0.1072525554381.066321406730.2542118040420.912768441314-0.003021945282640.01667628818160.02367942999070.006337878869950.02166139551630.06463259047310.01463363438930.0611496074895-0.02264879165140.1977914060890.002129579179970.01576290333070.214055388250.02231234525080.1606135455888.0168680885348.159507618158.3457759772
77.97739980706-0.461473859849-2.257914525122.16702108449-0.06082209624966.590501721360.1664679973760.5971218464740.648738432965-0.340274281409-0.0675174296773-0.0495152447264-0.609168226291-0.00328048376836-0.004060583925670.331518503827-0.03548352454260.04435622167810.2975306853410.02295848781350.27845757321422.267440835457.664929295347.5352363512
88.261400141874.79742809305-0.2071314726455.364138533230.3617202791840.9681116288180.0065085322117-0.353315369131-0.1318414027440.173079956103-0.04834781792670.004665203119830.007580338749130.2503431776830.02397136509230.2181451170570.0455988608370.006233127597340.257869646007-0.007101575459790.11029198251618.709385430239.842958300763.9234246341
92.214807366290.9044117134640.8649660358913.319201154510.01657302028022.34010981072-0.03807513925930.04530694880850.06699457237430.0280126948424-0.0249899455182-0.1544582766-0.2124536971330.19811379310.05236986975420.159569277138-0.00217534172748-0.0282939081420.1975550865360.01811139983660.22792039614556.810892934498.991926157156.6700980033
101.363303055320.03779895458610.3678335643240.6550330959680.004594642833451.492761222370.00612743130309-0.04251074052880.00796184716662-0.0009658627632-0.002781314102590.0785178536102-0.0225748577931-0.106068697918-0.01440853309780.177598655919-0.0127058307497-0.02287048043440.169535623272-0.006093089993890.25117791816338.490359413195.495572990545.9887949844
112.932190882240.479168427287-0.7812669561342.221018956910.6908775676352.978291415940.0268473155363-0.3216830040790.2003783633270.215378994322-0.001146311801870.132098713532-0.0238053725694-0.0621434909414-0.03069412629130.2878861249340.03070496083140.06515479969810.2777560042630.04139789611180.211943289241-19.601254582253.10347889996.0538212236
121.23291174525-0.118811392337-0.1139770442180.840861531759-0.2052623343031.31895715496-0.067159454092-0.0309582288097-0.0216718973590.05699226706160.05438622738760.1117847136180.0451024874261-0.05422816347120.01559408657230.2117536599170.01010397036540.03510493917490.1628960198580.01458114861050.191269726564-10.537170050250.387282186876.9786992617
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 32 through 174 )
2X-RAY DIFFRACTION2chain 'A' and (resid 175 through 388 )
3X-RAY DIFFRACTION3chain 'A' and (resid 389 through 428 )
4X-RAY DIFFRACTION4chain 'A' and (resid 429 through 473 )
5X-RAY DIFFRACTION5chain 'B' and (resid 31 through 174 )
6X-RAY DIFFRACTION6chain 'B' and (resid 175 through 388 )
7X-RAY DIFFRACTION7chain 'B' and (resid 389 through 428 )
8X-RAY DIFFRACTION8chain 'B' and (resid 429 through 473 )
9X-RAY DIFFRACTION9chain 'C' and (resid 34 through 174 )
10X-RAY DIFFRACTION10chain 'C' and (resid 175 through 473 )
11X-RAY DIFFRACTION11chain 'D' and (resid 34 through 174 )
12X-RAY DIFFRACTION12chain 'D' and (resid 175 through 473 )

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