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Basic information

Entry
Database: PDB / ID: 2xrs
TitleCrystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin
ComponentsHEAT-LABILE ENTEROTOXIN B CHAIN
KeywordsTOXIN / HOST-PATHOGEN INTERACTIONS / MOLECULAR RECOGNITION / PROTEIN-CARBOHYDRATE INTERACTION
Function / homology
Function and homology information


toxin activity / killing of cells of another organism / extracellular region
Similarity search - Function
Heat-labile enterotoxin, B chain / Heat-labile enterotoxin beta chain / OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #110 / Enterotoxin / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
beta-D-galactopyranose / Heat-labile enterotoxin B chain
Similarity search - Component
Biological speciesESCHERICHIA COLI (E. coli)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.81 Å
AuthorsHolmner, A. / Mackenzie, A. / Okvist, M. / Jansson, L. / Lebens, M. / Teneberg, S. / Krengel, U.
CitationJournal: J.Mol.Biol. / Year: 2011
Title: Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin
Authors: Holmner, A. / Mackenzie, A. / Okvist, M. / Jansson, L. / Lebens, M. / Teneberg, S. / Krengel, U.
History
DepositionSep 20, 2010Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 8, 2010Provider: repository / Type: Initial release
Revision 1.1Jun 6, 2012Group: Database references / Version format compliance
Revision 1.2Aug 1, 2012Group: Database references / Derived calculations ...Database references / Derived calculations / Other / Structure summary
Revision 2.0Jun 28, 2017Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations
Category: atom_site / diffrn_source ...atom_site / diffrn_source / pdbx_struct_sheet_hbond / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / struct_conf / struct_conn / struct_sheet / struct_sheet_order / struct_sheet_range / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _diffrn_source.type / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conf.beg_auth_comp_id / _struct_conf.beg_auth_seq_id / _struct_conf.beg_label_comp_id / _struct_conf.beg_label_seq_id / _struct_conf.end_auth_comp_id / _struct_conf.end_auth_seq_id / _struct_conf.end_label_comp_id / _struct_conf.end_label_seq_id / _struct_conf.pdbx_PDB_helix_id / _struct_conf.pdbx_PDB_helix_length / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr2_auth_seq_id / _struct_sheet_range.beg_auth_comp_id / _struct_sheet_range.beg_auth_seq_id / _struct_sheet_range.beg_label_comp_id / _struct_sheet_range.beg_label_seq_id / _struct_sheet_range.end_auth_comp_id / _struct_sheet_range.end_auth_seq_id / _struct_sheet_range.end_label_comp_id / _struct_sheet_range.end_label_seq_id / _struct_sheet_range.id / _struct_sheet_range.sheet_id
Revision 3.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Other / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_unobs_or_zero_occ_atoms / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_unobs_or_zero_occ_atoms.auth_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 3.1Dec 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / 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_conn / 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_conn.pdbx_leaving_atom_flag / _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
Remark 700 SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: HEAT-LABILE ENTEROTOXIN B CHAIN
E: HEAT-LABILE ENTEROTOXIN B CHAIN
F: HEAT-LABILE ENTEROTOXIN B CHAIN
G: HEAT-LABILE ENTEROTOXIN B CHAIN
H: HEAT-LABILE ENTEROTOXIN B CHAIN
L: HEAT-LABILE ENTEROTOXIN B CHAIN
M: HEAT-LABILE ENTEROTOXIN B CHAIN
N: HEAT-LABILE ENTEROTOXIN B CHAIN
O: HEAT-LABILE ENTEROTOXIN B CHAIN
P: HEAT-LABILE ENTEROTOXIN B CHAIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)122,03020
Polymers118,07510
Non-polymers3,95510
Water14,754819
1
L: HEAT-LABILE ENTEROTOXIN B CHAIN
M: HEAT-LABILE ENTEROTOXIN B CHAIN
N: HEAT-LABILE ENTEROTOXIN B CHAIN
O: HEAT-LABILE ENTEROTOXIN B CHAIN
P: HEAT-LABILE ENTEROTOXIN B CHAIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)60,91310
Polymers59,0385
Non-polymers1,8765
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13980 Å2
ΔGint-54.5 kcal/mol
Surface area21890 Å2
MethodPISA
2
D: HEAT-LABILE ENTEROTOXIN B CHAIN
E: HEAT-LABILE ENTEROTOXIN B CHAIN
F: HEAT-LABILE ENTEROTOXIN B CHAIN
G: HEAT-LABILE ENTEROTOXIN B CHAIN
H: HEAT-LABILE ENTEROTOXIN B CHAIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)61,11710
Polymers59,0385
Non-polymers2,0795
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14170 Å2
ΔGint-52.5 kcal/mol
Surface area22350 Å2
MethodPISA
Unit cell
Length a, b, c (Å)53.420, 61.060, 100.830
Angle α, β, γ (deg.)94.57, 95.24, 114.10
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11D
21E
31F
41G
51H
61L
71M
81N
91O
101P

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDRefine codeAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ALAALATYRTYR2DA1 - 121 - 12
21ALAALATYRTYR2EB1 - 121 - 12
31ALAALATYRTYR2FC1 - 121 - 12
41ALAALATYRTYR2GD1 - 121 - 12
51ALAALATYRTYR2HE1 - 121 - 12
61ALAALATYRTYR2LF1 - 121 - 12
71ALAALATYRTYR2MG1 - 121 - 12
81ALAALATYRTYR2NH1 - 121 - 12
91ALAALATYRTYR2OI1 - 121 - 12
101ALAALATYRTYR2PJ1 - 121 - 12
12ASNASNGLYGLY1DA14 - 4514 - 45
22ASNASNGLYGLY1EB14 - 4514 - 45
32ASNASNGLYGLY1FC14 - 4514 - 45
42ASNASNGLYGLY1GD14 - 4514 - 45
52ASNASNGLYGLY1HE14 - 4514 - 45
62ASNASNGLYGLY1LF14 - 4514 - 45
72ASNASNGLYGLY1MG14 - 4514 - 45
82ASNASNGLYGLY1NH14 - 4514 - 45
92ASNASNGLYGLY1OI14 - 4514 - 45
102ASNASNGLYGLY1PJ14 - 4514 - 45
13GLUGLUGLUGLU3DA4646
23GLUGLUGLUGLU3EB4646
33GLUGLUGLUGLU3FC4646
43GLUGLUGLUGLU3GD4646
53GLUGLUGLUGLU3HE4646
63GLUGLUGLUGLU3LF4646
73GLUGLUGLUGLU3MG4646
83GLUGLUGLUGLU3NH4646
93GLUGLUGLUGLU3OI4646
103GLUGLUGLUGLU3PJ4646
14THRTHRASNASN1DA47 - 10347 - 103
24THRTHRASNASN1EB47 - 10347 - 103
34THRTHRASNASN1FC47 - 10347 - 103
44THRTHRASNASN1GD47 - 10347 - 103
54THRTHRASNASN1HE47 - 10347 - 103
64THRTHRASNASN1LF47 - 10347 - 103
74THRTHRASNASN1MG47 - 10347 - 103
84THRTHRASNASN1NH47 - 10347 - 103
94THRTHRASNASN1OI47 - 10347 - 103
104THRTHRASNASN1PJ47 - 10347 - 103

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Components

#1: Protein
HEAT-LABILE ENTEROTOXIN B CHAIN / LT-B\ / PORCINE / LTP-B / AB5 TOXIN B SUBUNIT


Mass: 11807.539 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Details: PORCINE ENTEROTOXIN PLT B SUBUNIT CONTAINS LINEAR NEOLACTOTETRAOSE GAL BETA4 GLCNAC BETA3 GAL BETA4
Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Plasmid: PMLPLTBTAC / Production host: VIBRIO CHOLERAE (bacteria) / Strain (production host): JS1569 / References: UniProt: P32890
#2: Polysaccharide
beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 383.349 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGalpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a4-b1WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{}}LINUCSPDB-CARE
#3: Polysaccharide beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 545.490 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGalpb1-4DGlcpNAcb1-3DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-1/a3-b1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-Galp]{[(3+1)][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{}}}LINUCSPDB-CARE
#4: Sugar ChemComp-GAL / beta-D-galactopyranose / beta-D-galactose / D-galactose / galactose


Type: D-saccharide, beta linking / Mass: 180.156 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H12O6
IdentifierTypeProgram
DGalpbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
b-D-galactopyranoseCOMMON NAMEGMML 1.0
b-D-GalpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GalSNFG CARBOHYDRATE SYMBOLGMML 1.0
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 819 / Source method: isolated from a natural source / Formula: H2O
Sequence detailsMATURE PROTEIN AFTER CLEAVAGE OF SIGNAL PEPTIDE

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.5 Å3/Da / Density % sol: 51.1 % / Description: NONE
Crystal growpH: 6.5
Details: 20% PEG 3350, 200 MM SODIUM CITRATE, 20% GLYCEROL, 100MM BIS-TRIS PROPANE (PH 6.5)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418
DetectorType: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 1.8→14 Å / Num. obs: 92987 / % possible obs: 87.3 % / Observed criterion σ(I): 3 / Redundancy: 2.4 % / Biso Wilson estimate: 25.32 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 8.35
Reflection shellResolution: 1.8→1.9 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 2.26 / % possible all: 67.1

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Processing

Software
NameVersionClassification
REFMAC5.5.0109refinement
XDSdata reduction
XSCALEdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1EFI

1efi


Resolution: 1.81→13.99 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.952 / SU B: 6.33 / SU ML: 0.097 / Cross valid method: THROUGHOUT / ESU R: 0.154 / ESU R Free: 0.131 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
RfactorNum. reflection% reflectionSelection details
Rfree0.21864 4790 5.2 %RANDOM
Rwork0.1948 ---
obs0.19605 88179 100 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 21.367 Å2
Baniso -1Baniso -2Baniso -3
1-0.61 Å2-0.91 Å2-1.65 Å2
2---0.6 Å20.34 Å2
3----1 Å2
Refinement stepCycle: LAST / Resolution: 1.81→13.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8240 0 266 819 9325
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0130.0228668
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.2751.99911724
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.44351028
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.36425.455352
X-RAY DIFFRACTIONr_dihedral_angle_3_deg12.679151686
X-RAY DIFFRACTIONr_dihedral_angle_4_deg23.2491540
X-RAY DIFFRACTIONr_chiral_restr0.0840.21435
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0216061
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.3971.55171
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.80528499
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it1.73533497
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it2.7094.53224
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
1D751tight positional0.030.05
2E751tight positional0.040.05
3F751tight positional0.040.05
4G751tight positional0.040.05
5H751tight positional0.040.05
6L751tight positional0.040.05
7M751tight positional0.040.05
8N751tight positional0.040.05
9O751tight positional0.040.05
10P751tight positional0.040.05
1D38medium positional0.030.5
2E38medium positional0.040.5
3F38medium positional0.060.5
4G38medium positional0.050.5
5H38medium positional0.040.5
6L38medium positional0.030.5
7M38medium positional0.030.5
8N38medium positional0.050.5
9O38medium positional0.050.5
10P38medium positional0.050.5
1D751tight thermal0.130.5
2E751tight thermal0.120.5
3F751tight thermal0.120.5
4G751tight thermal0.110.5
5H751tight thermal0.120.5
6L751tight thermal0.130.5
7M751tight thermal0.120.5
8N751tight thermal0.120.5
9O751tight thermal0.120.5
10P751tight thermal0.130.5
1D38medium thermal0.112
2E38medium thermal0.112
3F38medium thermal0.12
4G38medium thermal0.12
5H38medium thermal0.082
6L38medium thermal0.092
7M38medium thermal0.082
8N38medium thermal0.112
9O38medium thermal0.12
10P38medium thermal0.12
LS refinement shellResolution: 1.808→1.904 Å / Total num. of bins used: 10
RfactorNum. reflection% reflection
Rfree0.308 599 -
Rwork0.301 10594 -
obs--100 %
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)
10.9634-0.18190.62032.4339-0.43411.91040.02310.1045-0.0209-0.2358-0.02860.1939-0.0143-0.0870.00550.02550.0079-0.01720.0442-0.03960.0792-10.3907-5.6963-15.6047
21.3022-0.12270.40462.4320.07211.2546-0.01380.03480.0970.0282-0.04760.0164-0.21190.05990.06140.04710.0036-0.00740.02890.00170.0093-5.225715.7211-10.3532
31.5723-0.29020.89192.0697-0.31271.7841-0.0693-0.07250.14870.3259-0.0614-0.2013-0.21370.15310.13060.1055-0.0462-0.03710.04750.01140.03727.784315.29338.0506
40.9469-0.00590.54472.5456-0.19711.6043-0.0542-0.0535-0.12640.23020.0039-0.17560.00040.15220.05030.0395-0.0116-0.0070.06470.02670.03911.201-6.205813.7928
51.2861-0.21210.60831.95570.16311.96180.06460.0414-0.2199-0.034-0.04240.13670.2156-0.0461-0.02220.02780.00010.0060.01480.00660.087-0.1193-19.1821-0.727
61.1289-0.01430.54152.169-0.4281.83080.02590.0874-0.009-0.22230.00360.19030.0069-0.1043-0.02950.02590.009-0.0210.0419-0.03050.0686-27.854615.364934.8067
71.2080.02530.36662.8382-0.04871.4934-0.02810.05590.10260.0056-0.00040.0203-0.26220.07890.02850.0640.012-0.00560.0415-0.00080.0096-22.500336.920839.5189
81.5796-0.18861.05372.0097-0.27741.9176-0.0472-0.0770.17090.2443-0.0529-0.1784-0.25950.1170.10010.1136-0.0247-0.01220.04330.00080.0357-9.050936.776757.4731
90.8967-0.03450.42212.5693-0.27671.8046-0.0223-0.039-0.12570.17320.0024-0.1770.01720.1620.01990.0335-0.0061-0.00690.06680.01150.0328-5.303215.38863.4989
101.2345-0.11610.54431.98540.01691.80110.04950.0418-0.1711-0.0379-0.02980.11380.2194-0.0519-0.01970.03660.00570.01130.0260.00260.0622-17.1022.147649.5768
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1D1 - 208
2X-RAY DIFFRACTION2E1 - 208
3X-RAY DIFFRACTION3F1 - 208
4X-RAY DIFFRACTION4G1 - 208
5X-RAY DIFFRACTION5H1 - 208
6X-RAY DIFFRACTION6L1 - 208
7X-RAY DIFFRACTION7M1 - 208
8X-RAY DIFFRACTION8N1 - 208
9X-RAY DIFFRACTION9O1 - 208
10X-RAY DIFFRACTION10P1 - 208

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