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- PDB-6oad: 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B fr... -

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Basic information

Entry
Database: PDB / ID: 6oad
Title2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655.
ComponentsPeptidase B
KeywordsHYDROLASE / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / Aminopeptidase B
Function / homology
Function and homology information


PepB aminopeptidase / peptide catabolic process / metalloaminopeptidase activity / aminopeptidase activity / peptidase activity / manganese ion binding / proteolysis / identical protein binding / cytosol / cytoplasm
Similarity search - Function
Peptidase M17, peptidase B / : / Peptidase / Cytosol aminopeptidase signature. / Peptidase M17, leucyl aminopeptidase, C-terminal / Peptidase M17, leucine aminopeptidase/peptidase B / Cytosol aminopeptidase family, catalytic domain
Similarity search - Domain/homology
BICARBONATE ION / DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / : / Peptidase B
Similarity search - Component
Biological speciesEscherichia coli str. K-12 substr. MG1655 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å
AuthorsMinasov, G. / Shuvalova, L. / Wawrzak, Z. / Kiryukhina, O. / Grimshaw, S. / Kwon, K. / Satchell, K.J.F. / Center for Structural Genomics of Infectious Diseases (CSGID)
Citation
Journal: Protein Sci. / Year: 2020
Title: Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Authors: Minasov, G. / Lam, M.R. / Rosas-Lemus, M. / Slawek, J. / Woinska, M. / Shabalin, I.G. / Shuvalova, L. / Palsson, B.O. / Godzik, A. / Minor, W. / Satchell, K.J.F.
#1: Journal: Acta Crystallogr.,Sect.F / Year: 2019
Title: Structural comparison of p-hydroxybenzoate hydroxylase (PobA) from Pseudomonas putida with PobA from other Pseudomonas spp. and other monooxygenases.
Authors: Lazar, J.T. / Shuvalova, L. / Rosas-Lemus, M. / Kiryukhina, O. / Satchell, K.J.F. / Minasov, G.
#2: Journal: Febs J. / Year: 2020
Title: Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Authors: Shabalin, I.G. / Gritsunov, A. / Hou, J. / Slawek, J. / Miks, C.D. / Cooper, D.R. / Minor, W. / Christendat, D.
History
DepositionMar 15, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 27, 2019Provider: repository / Type: Initial release
Revision 1.1Apr 24, 2019Group: Data collection / Refinement description / Category: refine / software
Item: _refine.pdbx_method_to_determine_struct / _refine.pdbx_starting_model / _software.name
Revision 1.2Jan 27, 2021Group: Database references / Derived calculations
Category: citation / citation_author ...citation / citation_author / pdbx_struct_conn_angle / struct_conn
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _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_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _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 / _struct_conn.pdbx_dist_value / _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
Revision 1.3Apr 7, 2021Group: Database references / Category: citation / citation_author
Revision 1.4Oct 11, 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
Item: _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
A: Peptidase B
B: Peptidase B
C: Peptidase B
D: Peptidase B
E: Peptidase B
F: Peptidase B
G: Peptidase B
H: Peptidase B
I: Peptidase B
J: Peptidase B
K: Peptidase B
L: Peptidase B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)564,698122
Polymers558,02712
Non-polymers6,671110
Water60,9813385
1
A: Peptidase B
B: Peptidase B
C: Peptidase B
D: Peptidase B
E: Peptidase B
F: Peptidase B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)282,49262
Polymers279,0146
Non-polymers3,47856
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area30880 Å2
ΔGint-631 kcal/mol
Surface area82550 Å2
MethodPISA
2
G: Peptidase B
H: Peptidase B
I: Peptidase B
J: Peptidase B
K: Peptidase B
L: Peptidase B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)282,20660
Polymers279,0146
Non-polymers3,19354
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area30570 Å2
ΔGint-610 kcal/mol
Surface area82390 Å2
MethodPISA
Unit cell
Length a, b, c (Å)150.667, 114.761, 161.171
Angle α, β, γ (deg.)90.00, 92.02, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 1 types, 12 molecules ABCDEFGHIJKL

#1: Protein
Peptidase B / Aminopeptidase B


Mass: 46502.270 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli str. K-12 substr. MG1655 (bacteria)
Gene: pepB, D8B36_06045 / Variant: MG1655 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / Variant (production host): magic
References: UniProt: A0A387CSU7, UniProt: P37095*PLUS, PepB aminopeptidase

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Non-polymers , 8 types, 3495 molecules

#2: Chemical...
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 24 / Source method: obtained synthetically / Formula: Zn
#3: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: Ca
#4: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Cl
#5: Chemical
ChemComp-BCT / BICARBONATE ION


Mass: 61.017 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: CHO3 / Comment: pH buffer*YM
#6: Chemical...
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 39 / Source method: obtained synthetically / Formula: C2H6O2
#7: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#8: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C4H10O3
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 3385 / 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: 2.4 Å3/Da / Density % sol: 48.8 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: Protein: 6.0 mg/ml, 0.01M Tris pH 8.3; Screen: PEGs II (H8), 0.2M Calcium acetate, 0.1M HEPES pH 7.5, 10% (w/v) PEG 8000. Cryo: reservoir + 20% Ethylene glycol.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 5, 2019 / Details: C(111)
RadiationMonochromator: Be / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.05→30 Å / Num. obs: 338775 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Redundancy: 4.1 % / Biso Wilson estimate: 30.9 Å2 / Rmerge(I) obs: 0.098 / Rpim(I) all: 0.054 / Rrim(I) all: 0.112 / Rsym value: 0.098 / Χ2: 1.011 / Net I/σ(I): 11.9
Reflection shellResolution: 2.05→2.09 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.791 / Mean I/σ(I) obs: 1.9 / Num. unique obs: 16506 / CC1/2: 0.761 / Rpim(I) all: 0.437 / Rrim(I) all: 0.905 / Rsym value: 0.791 / Χ2: 1.007 / % possible all: 96.4

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Processing

Software
NameVersionClassification
REFMAC5.8.0238refinement
HKL-3000data reduction
HKL-3000data scaling
MoRDaphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3IJ3

3ij3


Resolution: 2.05→29.88 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.948 / SU B: 11.004 / SU ML: 0.152 / Cross valid method: THROUGHOUT / ESU R: 0.194 / ESU R Free: 0.165 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.21473 16698 4.9 %RANDOM
Rwork0.17185 ---
obs0.17398 321648 98.62 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso mean: 37.118 Å2
Baniso -1Baniso -2Baniso -3
1-1.68 Å20 Å2-2.3 Å2
2--0.94 Å20 Å2
3----2.46 Å2
Refinement stepCycle: 1 / Resolution: 2.05→29.88 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms38883 0 323 3385 42591
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01340508
X-RAY DIFFRACTIONr_bond_other_d0.0010.01737179
X-RAY DIFFRACTIONr_angle_refined_deg1.4731.63854762
X-RAY DIFFRACTIONr_angle_other_deg0.4161.57886032
X-RAY DIFFRACTIONr_dihedral_angle_1_deg3.0955212
X-RAY DIFFRACTIONr_dihedral_angle_2_deg22.46222.2682116
X-RAY DIFFRACTIONr_dihedral_angle_3_deg9.454156556
X-RAY DIFFRACTIONr_dihedral_angle_4_deg10.63915286
X-RAY DIFFRACTIONr_chiral_restr0.0720.25269
X-RAY DIFFRACTIONr_gen_planes_refined0.0550.0246539
X-RAY DIFFRACTIONr_gen_planes_other0.050.028639
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_it0.8281.34720696
X-RAY DIFFRACTIONr_mcbond_other0.8271.34720695
X-RAY DIFFRACTIONr_mcangle_it1.4082.01825942
X-RAY DIFFRACTIONr_mcangle_other1.4082.01825943
X-RAY DIFFRACTIONr_scbond_it1.4711.519812
X-RAY DIFFRACTIONr_scbond_other1.4711.519813
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other1.7182.17228815
X-RAY DIFFRACTIONr_long_range_B_refined6.73517.51447409
X-RAY DIFFRACTIONr_long_range_B_other6.73517.51347409
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.05→2.103 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.313 1229 -
Rwork0.292 22675 -
obs--94.99 %
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)
13.69431.8541-1.98633.79711.54646.0886-0.06810.41640.0507-0.1175-0.06490.0261-0.4040.28330.1330.5284-0.04710.00210.28260.0530.280746.402870.078347.8987
20.55890.2204-0.39330.8947-0.58761.38730.02-0.03890.14020.0994-0.0126-0.0504-0.45650.0791-0.00750.4543-0.04290.0090.0967-0.01890.178340.488861.791371.6104
30.8319-0.2388-0.10311.0823-0.02920.9882-0.0415-0.06570.04160.12860.01130.0243-0.2401-0.07730.03020.35980.01690.04390.2196-0.01530.184530.011345.008383.8963
40.6220.20970.030.8717-0.18150.8592-0.0128-0.00040.08620.06310.02660.1215-0.284-0.1587-0.01380.32960.04320.04460.2103-0.00540.202922.20548.201672.0429
51.3595-1.20840.94672.5928-3.24114.50710.0167-0.214-0.2498-0.33250.08730.27920.5276-0.131-0.1040.4357-0.0860.07170.8191-0.0050.8546-8.132710.192778.88
61.3366-0.19840.25010.82620.13481.26960.0547-0.1874-0.02690.258-0.02650.32370.1726-0.3409-0.02820.2583-0.07220.15780.23290.07480.237116.56579.996790.6665
70.63840.1350.00321.1194-0.25841.1330.0872-0.1013-0.08480.2228-0.02750.09450.26880.0486-0.05970.4196-0.00680.0550.20810.04370.243934.88416.872890.1195
80.9449-0.0619-0.00550.74220.02281.34160.036-0.0214-0.16660.10630.01840.12340.38130.0084-0.05440.4135-0.00660.03540.12950.03460.228933.0784-0.120980.7033
91.8278-0.265-0.0423.33150.70672.0499-0.01690.2551-0.19460.07840.2371-0.25630.32770.547-0.22030.14830.2536-0.02540.5309-0.1250.144772.966-4.679962.0502
101.4364-0.22030.20040.86080.12020.75-0.0010.0103-0.0380.20770.0194-0.09370.03390.5057-0.01840.171-0.00660.00140.5695-0.00130.136769.423423.770978.9095
110.4974-0.15630.03680.89130.11030.85890.01160.12790.0498-0.0085-0.0026-0.1021-0.11130.5145-0.0090.1252-0.04830.03680.56580.00070.140266.852729.827466.4819
122.4204-0.37541.29773.87510.96743.1513-0.1581-0.08830.2990.07250.1941-0.2112-0.44390.5366-0.0360.2415-0.16370.03690.3638-0.01720.076458.840260.076443.6142
130.10860.24950.1481.69330.30240.6798-0.10880.18340.0912-0.3090.10540.0791-0.2250.40660.00340.4313-0.11350.0510.60720.04640.287154.685843.62828.7976
141.4511-0.18910.54140.8501-0.00371.097-0.0810.2587-0.1461-0.14610.10770.07240.24940.239-0.02660.27220.03630.03660.3417-0.03760.132147.700918.404223.8268
150.60870.01860.0070.412-0.09851.05140.04650.16820.0331-0.02220.0416-0.01370.03720.4027-0.08820.26440.0250.04430.4254-0.01550.213251.604324.006932.0732
160.4231-0.02780.13460.7417-0.14721.020.03090.0809-0.06970.0085-0.0083-0.08510.13390.4813-0.02260.17240.04420.05330.5126-0.02260.137759.658521.822740.1936
177.6406-0.27230.25230.7899-1.07272.92770.0374-0.4868-0.13120.10480.1205-0.06980.69810.1827-0.15790.4970.206-0.15120.1229-0.05550.192458.7982-19.605862.9039
182.60880.10980.67011.96780.23371.97430.33930.3658-0.27090.0696-0.0593-0.17410.60320.4185-0.280.60930.2334-0.09220.1427-0.07180.228350.98-18.991452.0259
191.6902-0.25830.01231.17930.1311.2490.23550.3032-0.1998-0.3313-0.15110.18330.5004-0.0013-0.08440.50880.0213-0.08860.0974-0.06820.191826.8632-7.661239.265
200.867-0.43380.11690.6703-0.10091.02050.10450.0123-0.1998-0.044-0.03360.2220.4152-0.1102-0.07090.438-0.0413-0.02680.1009-0.0050.278123.8376-3.482554.0986
210.9839-0.51010.60991.7869-0.45355.36010.0192-0.2027-0.04640.2368-0.01090.4296-0.0765-0.5204-0.00830.10820.01620.18970.5306-0.03610.3588-8.169327.318774.1781
220.93930.1978-0.20650.7157-0.07321.4688-0.0015-0.0175-0.134-0.0928-0.07350.26620.009-0.47120.0750.14070.0478-0.0060.3248-0.04770.27991.879128.932346.903
233.0494-1.33250.72721.7584-0.43330.9205-0.09990.06460.0640.0698-0.05680.0541-0.1078-0.20950.15670.30030.0555-0.00110.2518-0.05730.205413.39436.285440.9145
240.6756-0.12910.1360.4370.13860.85920.0157-0.02250.0437-0.0742-0.06790.1111-0.2235-0.18510.05220.28290.05290.01640.2351-0.01430.240916.331141.142547.2264
253.0804-0.481-2.7331.05270.61522.5182-0.0212-0.5181-0.1328-0.3434-0.1214-0.3181-0.1130.61590.14260.3558-0.13560.05351.01770.16330.523782.552747.7847-7.2023
261.2542-0.44320.05830.74350.10311.30380.0609-0.09810.03880.1535-0.1215-0.1988-0.12950.4970.06060.2693-0.16340.01490.44220.03940.191962.328452.89766.5179
270.98690.21530.42631.2320.17390.74620.0045-0.13510.00130.1409-0.0569-0.008-0.21070.12170.05250.397-0.09810.08770.2772-0.0190.18839.673557.58036.9264
280.6916-0.05930.32380.649-0.01250.68040.0017-0.04920.1480.1028-0.050.0195-0.25660.16350.04830.3515-0.10330.07490.2368-0.00460.178643.708564.3431-4.0727
290.8676-0.20620.29621.4977-0.90441.75-0.0633-0.07610.22870.14730.04140.2342-0.246-0.14030.02190.27880.0390.09820.1364-0.04050.31353.051667.2359-16.3657
301.582-0.2620.12580.9556-0.26071.03710.0339-0.16640.02250.17730.02510.1667-0.0393-0.2537-0.05910.284-0.02990.12830.2783-0.02270.22916.308539.0878-3.4016
310.5124-0.23780.11931.2021-0.07450.50030.0463-0.0376-0.0048-0.02490.00350.18890.0412-0.1396-0.04970.2437-0.03040.08980.2663-0.0050.26865.335338.2779-18.1544
320.51850.38260.46890.80620.42221.3270.0545-0.0801-0.1170.0466-0.03720.06580.2381-0.0071-0.01730.3275-0.01380.04160.1526-0.00110.23625.1550.446-13.6947
330.68880.20250.15070.82670.18151.0090.0589-0.0675-0.07980.0738-0.028-0.04380.1660.1375-0.03080.3041-0.01190.04720.2890.00570.187340.989319.29223.4479
340.78990.53670.38020.74880.00890.56390.0736-0.0183-0.1536-0.0172-0.0615-0.07450.1790.2582-0.01210.30610.02420.06080.3355-0.00750.213347.216114.7802-9.8077
351.56510.28380.62953.59560.1744.47280.104-0.0116-0.09880.4437-0.0622-0.3980.05140.3913-0.04180.07130.00440.00090.58480.06150.258579.509532.3216-10.6617
360.95050.33480.56540.91490.06480.8824-0.02920.2768-0.023-0.1343-0.0198-0.36440.00890.56240.0490.12970.06690.16640.75170.0270.286472.334227.6254-35.3015
370.59830.00670.41921.2643-0.10570.872-0.00240.1688-0.0356-0.1571-0.0335-0.10970.07770.42420.03590.23470.06280.13380.494-0.01090.146754.67623.4322-42.8418
380.80320.12140.23320.6889-0.04210.51260.07510.0851-0.1444-0.0837-0.0526-0.10230.15470.3003-0.02250.24190.07590.09170.4146-0.01550.193452.575116.7708-31.4316
391.4840.41920.09783.3812-1.05572.2960.2583-0.1365-0.04960.0656-0.05770.07330.1324-0.2133-0.20060.2738-0.0926-0.06130.10770.01560.18268.6026.078-34.3881
400.6190.5943-0.56651.5508-0.8731.20140.02140.2192-0.1277-0.35490.06330.18490.30230.0081-0.08470.4744-0.0197-0.01780.368-0.04370.355713.894619.578-51.7235
411.24990.01260.73370.48370.05721.35280.00760.15930.09-0.1261-0.00050.0654-0.07610.0081-0.00710.3268-0.00280.0660.26680.01710.223321.797443.2219-51.56
420.54450.1730.1550.98350.0650.95970.02910.04220.06220.0118-0.02520.1725-0.0544-0.123-0.00390.25340.01180.06390.260.00450.254310.868741.2996-40.5768
432.2469-0.9662-0.97992.7180.62692.2777-0.05-0.04330.13180.23040.02590.2644-0.1530.03240.02410.3915-0.05310.09870.0194-0.01550.228820.573383.7683-23.8681
440.8489-0.2816-0.10240.65720.06921.03270.01970.17060.2382-0.1184-0.06520.0021-0.29880.18620.04550.3887-0.07530.06810.19840.04760.209736.601278.9454-39.9598
450.75790.37850.12171.5026-0.07610.37450.02380.12530.0571-0.1758-0.0703-0.1156-0.10970.22480.04640.2639-0.07790.12120.41570.05750.143152.574262.2819-41.147
460.3702-0.27720.03950.8249-0.10850.2689-0.01350.0480.13890.0249-0.0555-0.1544-0.16630.29310.0690.3023-0.11460.07520.40640.04230.221153.061565.149-27.1478
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A2 - 32
2X-RAY DIFFRACTION2A33 - 155
3X-RAY DIFFRACTION3A156 - 294
4X-RAY DIFFRACTION4A295 - 427
5X-RAY DIFFRACTION5B2 - 20
6X-RAY DIFFRACTION6B21 - 177
7X-RAY DIFFRACTION7B178 - 269
8X-RAY DIFFRACTION8B270 - 427
9X-RAY DIFFRACTION9C2 - 91
10X-RAY DIFFRACTION10C92 - 213
11X-RAY DIFFRACTION11C214 - 427
12X-RAY DIFFRACTION12D3 - 64
13X-RAY DIFFRACTION13D65 - 141
14X-RAY DIFFRACTION14D142 - 181
15X-RAY DIFFRACTION15D182 - 263
16X-RAY DIFFRACTION16D264 - 427
17X-RAY DIFFRACTION17E2 - 45
18X-RAY DIFFRACTION18E46 - 100
19X-RAY DIFFRACTION19E101 - 184
20X-RAY DIFFRACTION20E185 - 427
21X-RAY DIFFRACTION21F2 - 48
22X-RAY DIFFRACTION22F49 - 177
23X-RAY DIFFRACTION23F178 - 211
24X-RAY DIFFRACTION24F212 - 427
25X-RAY DIFFRACTION25G2 - 29
26X-RAY DIFFRACTION26G30 - 153
27X-RAY DIFFRACTION27G154 - 269
28X-RAY DIFFRACTION28G270 - 427
29X-RAY DIFFRACTION29H2 - 139
30X-RAY DIFFRACTION30H140 - 270
31X-RAY DIFFRACTION31H271 - 427
32X-RAY DIFFRACTION32I3 - 147
33X-RAY DIFFRACTION33I148 - 304
34X-RAY DIFFRACTION34I305 - 427
35X-RAY DIFFRACTION35J2 - 57
36X-RAY DIFFRACTION36J58 - 155
37X-RAY DIFFRACTION37J156 - 271
38X-RAY DIFFRACTION38J272 - 427
39X-RAY DIFFRACTION39K1 - 57
40X-RAY DIFFRACTION40K58 - 144
41X-RAY DIFFRACTION41K145 - 294
42X-RAY DIFFRACTION42K295 - 427
43X-RAY DIFFRACTION43L3 - 57
44X-RAY DIFFRACTION44L58 - 145
45X-RAY DIFFRACTION45L146 - 269
46X-RAY DIFFRACTION46L270 - 427

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