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- PDB-4ma1: Unliganded 3 crystal structure of S25-26 Fab -

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Basic information

Entry
Database: PDB / ID: 4ma1
TitleUnliganded 3 crystal structure of S25-26 Fab
Components(S25-26 Fab (IgG1k) ...) x 2
KeywordsIMMUNE SYSTEM / Carbohydrate/Sugar Binding
Function / homologyImmunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / : / DI(HYDROXYETHYL)ETHER
Function and homology information
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.32 Å
AuthorsHaji-Ghassemi, O. / Evans, S.V.
CitationJournal: J.Biol.Chem. / Year: 2014
Title: Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
Authors: Haji-Ghassemi, O. / Muller-Loennies, S. / Saldova, R. / Muniyappa, M. / Brade, L. / Rudd, P.M. / Harvey, D.J. / Kosma, P. / Brade, H. / Evans, S.V.
History
DepositionAug 15, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 9, 2014Provider: repository / Type: Initial release
Revision 1.1Jun 11, 2014Group: Database references
Revision 1.2Jul 9, 2014Group: Database references
Revision 1.3Nov 15, 2017Group: Refinement description / Category: software
Revision 2.0Dec 25, 2019Group: Data collection / Derived calculations / Polymer sequence
Category: chem_comp / entity_poly ...chem_comp / entity_poly / pdbx_struct_mod_residue / struct_conn
Item: _chem_comp.type / _entity_poly.pdbx_seq_one_letter_code_can ..._chem_comp.type / _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_mod_residue.parent_comp_id / _struct_conn.pdbx_leaving_atom_flag
Revision 3.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / 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_struct_conn_angle / pdbx_struct_special_symmetry / pdbx_validate_close_contact / 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_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr1_PDB_ins_code / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_PDB_ins_code / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr1_PDB_ins_code / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 3.1Sep 20, 2023Group: 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
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: S25-26 Fab (IgG1k) heavy chain
E: S25-26 Fab (IgG1k) heavy chain
H: S25-26 Fab (IgG1k) heavy chain
C: S25-26 Fab (IgG1k) light chain
F: S25-26 Fab (IgG1k) light chain
L: S25-26 Fab (IgG1k) light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)147,23412
Polymers143,6096
Non-polymers3,6256
Water4,378243
1
B: S25-26 Fab (IgG1k) heavy chain
C: S25-26 Fab (IgG1k) light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,8704
Polymers47,8702
Non-polymers1,0012
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5130 Å2
ΔGint-3 kcal/mol
Surface area20520 Å2
MethodPISA
2
E: S25-26 Fab (IgG1k) heavy chain
F: S25-26 Fab (IgG1k) light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,7643
Polymers47,8702
Non-polymers8951
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4830 Å2
ΔGint-9 kcal/mol
Surface area20610 Å2
MethodPISA
3
H: S25-26 Fab (IgG1k) heavy chain
L: S25-26 Fab (IgG1k) light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)49,5995
Polymers47,8702
Non-polymers1,7303
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5860 Å2
ΔGint5 kcal/mol
Surface area21320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)196.257, 66.508, 122.078
Angle α, β, γ (deg.)90.00, 113.46, 90.00
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11L-439-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11B
21E
12B
22H
13E
23H
14C
24F
15C
25L
16F
26L

NCS domain segments:
Dom-IDComponent-IDEns-IDRefine codeAuth asym-IDAuth seq-ID
1010B4 - 217
2010E4 - 217
1020B1 - 218
2020H1 - 218
1030E4 - 217
2030H4 - 217
1040C1 - 219
2040F1 - 219
1050C1 - 219
2050L1 - 219
1060F1 - 219
2060L1 - 219

NCS ensembles :
ID
1
2
3
4
5
6

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Components

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Antibody , 2 types, 6 molecules BEHCFL

#1: Antibody S25-26 Fab (IgG1k) heavy chain


Mass: 23513.465 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Strain: Balb/C
#2: Antibody S25-26 Fab (IgG1k) light chain


Mass: 24356.043 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse) / Strain: Balb/C

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Sugars , 3 types, 3 molecules

#3: Polysaccharide alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 894.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#4: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 894.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/4,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-4/a4-b1_a6-e1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#5: Polysaccharide alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose- ...alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1584.438 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGalpa1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/6,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-6/a4-b1_a6-i1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(3+1)][a-D-Galp]{}}}}[(6+1)][a-D-Manp]{}}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE

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Non-polymers , 3 types, 246 molecules

#6: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#7: Chemical ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: K
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 243 / 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: 2.54 Å3/Da / Density % sol: 51.66 %

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.9794
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Dec 1, 2011 / Details: VERTICAL FOCUSING MIRROR
RadiationMonochromator: DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9794 Å / Relative weight: 1
ReflectionResolution: 2.32→30 Å / Num. obs: 62649 / % possible obs: 99.9 % / Redundancy: 4.3 % / Rmerge(I) obs: 0.062 / Net I/σ(I): 13.1
Reflection shellResolution: 2.32→2.4 Å / Redundancy: 4.3 % / Rmerge(I) obs: 0.581 / % possible all: 100

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Phasing

PhasingMethod: molecular replacement
Phasing MRModel details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation2.5 Å29.91 Å
Translation2.5 Å29.91 Å

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHASER2.3.0phasing
REFMACrefinement
PDB_EXTRACT3.11data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4M7J

4m7j


Resolution: 2.32→29.93 Å / Cor.coef. Fo:Fc: 0.92 / Cor.coef. Fo:Fc free: 0.895 / Occupancy max: 1 / Occupancy min: 0.44 / SU B: 17.046 / SU ML: 0.206 / SU R Cruickshank DPI: 0.7385 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.739 / ESU R Free: 0.305 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING
RfactorNum. reflection% reflectionSelection details
Rfree0.26 2621 5.1 %RANDOM
Rwork0.229 ---
obs0.231 51319 81.4 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 48.25 Å2
Baniso -1Baniso -2Baniso -3
1--1.83 Å2-0 Å2-0.21 Å2
2--2.74 Å20 Å2
3----0.6 Å2
Refinement stepCycle: LAST / Resolution: 2.32→29.93 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10061 0 242 243 10546
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.0210599
X-RAY DIFFRACTIONr_bond_other_d0.0040.029655
X-RAY DIFFRACTIONr_angle_refined_deg1.4771.97614533
X-RAY DIFFRACTIONr_angle_other_deg1.2423.00222292
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.90251305
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.87824405
X-RAY DIFFRACTIONr_dihedral_angle_3_deg17.306151634
X-RAY DIFFRACTIONr_dihedral_angle_4_deg22.6591542
X-RAY DIFFRACTIONr_chiral_restr0.1220.21686
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.02111753
X-RAY DIFFRACTIONr_gen_planes_other0.0040.022363
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_it0.4031.1325235
X-RAY DIFFRACTIONr_mcbond_other0.4031.1315234
X-RAY DIFFRACTIONr_mcangle_it0.7321.6956535
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it
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

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11B103460.14
12E103460.14
21B108220.12
22H108220.12
31E103610.13
32H103610.13
41C116250.08
42F116250.08
51C113960.09
52L113960.09
61F113300.1
62L113300.1
LS refinement shellResolution: 2.32→2.38 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.338 67 -
Rwork0.303 1168 -
obs--26.64 %
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)
15.80182.7461-1.0264.2609-1.2644.21410.0406-0.1934-0.3097-0.0271-0.08130.06670.05050.10620.04070.1709-0.0769-0.01170.21990.02390.144248.6886-23.903735.1861
23.8322-0.8089-3.8142.08271.45678.58820.0266-0.02850.02780.1106-0.03780.2602-0.0266-0.53420.01110.2431-0.1971-0.01480.61640.03930.289721.763-28.909459.2803
33.91760.1611-2.76273.53232.02376.19930.0237-0.0858-0.1326-0.1448-0.00330.6314-0.281-0.4229-0.02040.3609-0.1195-0.0060.56570.05410.310220.2106-26.565459.4477
44.24016.7261-1.29712.2839-2.28642.57680.7189-0.46191.6571.3146-0.3331.7962-0.933-0.2018-0.3860.539-0.23820.20770.93-0.37471.0837-16.1268-20.208636.7205
54.3282-0.733-1.57297.0712.4586.1522-0.15350.29620.2953-0.34780.10690.28540.14130.360.04660.3406-0.1212-0.04060.27640.06530.411614.654-19.693316.6858
66.0228-0.9827-3.40117.5991.77785.64860.15860.55020.576-0.9029-0.04870.3743-0.05510.3045-0.10990.3555-0.0916-0.10250.35720.05540.32414.5367-20.12713.8488
77.3831-0.3232-0.37512.3562-0.48183.31390.0870.1873-0.49540.0144-0.15050.08370.3006-0.12380.06340.18180.0674-0.00240.0638-0.03110.140723.03551.832-9.3007
85.1466-0.50350.34141.6315-1.53249.57410.0323-0.15190.01640.1751-0.1542-0.1944-0.48260.03710.12190.121-0.0283-0.03180.03170.0680.367452.75813.01511.8374
94.7112-0.79211.31670.6673-0.687111.54270.037-0.1452-0.25640.1187-0.1145-0.0616-0.04510.01820.07760.1507-0.0646-0.04630.04990.01830.331552.6871.012813.9142
103.4913-0.157-1.61471.64250.8374.11520.0048-0.6687-0.03850.24470.07820.0389-0.11680.3262-0.0830.184-0.1646-0.02550.58270.06490.080356.145-11.758250.5942
117.08145.1927-14.64025.6692-6.061642.04380.3591-0.15270.13830.50580.00830.0393-0.21260.5811-0.36750.4536-0.0558-0.02020.5433-0.0180.232641.5504-9.70167.9604
124.65643.1263-0.2698.0195-1.30841.77160.2224-0.5525-0.41590.3112-0.3453-0.16030.26660.2370.12290.4147-0.08720.10910.7270.09330.155331.3449-31.697870.691
137.45610.808-2.68381.68410.8733.94030.2639-0.6163-0.02560.0402-0.1423-0.1596-0.12590.164-0.12160.1618-0.2143-0.04970.50610.03660.1003-14.7235-40.696831.7368
1443.13816.481813.79331.8287-1.99923.8263-0.2061.1766-0.6028-0.23820.4551-0.09560.8671-0.8286-0.24910.2431-0.18980.00270.2396-0.19980.66632.7748-45.468617.9368
159.3075.41742.56835.79691.34682.2283-0.01810.0529-0.01030.0129-0.0635-0.29980.0099-0.00890.08160.2144-0.05330.07360.0806-0.06790.259320.7938-30.803124.7266
166.5577-0.78312.46422.07490.08953.917-0.0324-0.6986-0.02510.32080.0503-0.15410.14160.0352-0.01790.13020.01130.03760.10830.00190.11514.57539.68398.0624
1741.083117.306316.8257.46236.206911.5129-0.0801-0.24010.08320.2281-0.00090.0332-1.4779-0.21730.08110.45110.03160.02830.615-0.01290.205129.674812.178525.3745
188.89690.9996-3.79551.6442-0.16344.52930.074-0.27890.4988-0.0081-0.0677-0.0904-0.5506-0.0494-0.00630.3742-0.028-0.15050.03790.03710.299651.116617.194115.4984
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1B1 - 116
2X-RAY DIFFRACTION2B117 - 164
3X-RAY DIFFRACTION3B165 - 213
4X-RAY DIFFRACTION4E4 - 116
5X-RAY DIFFRACTION5E117 - 164
6X-RAY DIFFRACTION6E165 - 214
7X-RAY DIFFRACTION7H1 - 116
8X-RAY DIFFRACTION8H117 - 164
9X-RAY DIFFRACTION9H165 - 213
10X-RAY DIFFRACTION10C1 - 109
11X-RAY DIFFRACTION11C110 - 115
12X-RAY DIFFRACTION12C116 - 214
13X-RAY DIFFRACTION13F1 - 109
14X-RAY DIFFRACTION14F110 - 115
15X-RAY DIFFRACTION15F116 - 214
16X-RAY DIFFRACTION16L1 - 109
17X-RAY DIFFRACTION17L110 - 115
18X-RAY DIFFRACTION18L116 - 214

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