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- PDB-5cer: Bd0816 Predatory Endopeptidase from Bdellovibrio bacteriovorus in... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5cer
TitleBd0816 Predatory Endopeptidase from Bdellovibrio bacteriovorus in complex with immunity protein Bd3460
Components
  • Bd0816
  • Bd3460
KeywordsIMMUNE SYSTEM / transpeptidase and ankyrin repeat
Function / homology
Function and homology information


serine-type D-Ala-D-Ala carboxypeptidase / serine-type D-Ala-D-Ala carboxypeptidase activity
Similarity search - Function
D-Ala-D-Ala carboxypeptidase C, peptidase S13 / Peptidase S13, D-Ala-D-Ala carboxypeptidase C / D-Ala-D-Ala carboxypeptidase 3 (S13) family / D-tyrosyl-trna(Tyr) Deacylase; Chain: A; / Ankyrin repeat-containing domain / Beta-lactamase / DD-peptidase/beta-lactamase superfamily / Ankyrin repeats (3 copies) / Ankyrin repeat profile. / Ankyrin repeat region circular profile. ...D-Ala-D-Ala carboxypeptidase C, peptidase S13 / Peptidase S13, D-Ala-D-Ala carboxypeptidase C / D-Ala-D-Ala carboxypeptidase 3 (S13) family / D-tyrosyl-trna(Tyr) Deacylase; Chain: A; / Ankyrin repeat-containing domain / Beta-lactamase / DD-peptidase/beta-lactamase superfamily / Ankyrin repeats (3 copies) / Ankyrin repeat profile. / Ankyrin repeat region circular profile. / ankyrin repeats / Ankyrin repeat / 3-Layer(bba) Sandwich / Ankyrin repeat-containing domain superfamily / Beta-lactamase/transpeptidase-like / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat / Alpha Horseshoe / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Uncharacterized protein / D-alanyl-D-alanine carboxypeptidase
Similarity search - Component
Biological speciesBdellovibrio bacteriovorus HD100 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.48 Å
AuthorsLovering, A.L. / Cadby, I.T. / Lambert, C. / Sockett, R.E.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Biotechnology and Biological Sciences Research CouncilBB/J015229/1 United Kingdom
CitationJournal: Nat Commun / Year: 2015
Title: Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus.
Authors: Lambert, C. / Cadby, I.T. / Till, R. / Bui, N.K. / Lerner, T.R. / Hughes, W.S. / Lee, D.J. / Alderwick, L.J. / Vollmer, W. / Sockett, E.R. / Lovering, A.L.
History
DepositionJul 7, 2015Deposition site: RCSB / Processing site: PDBE
Revision 1.0Dec 9, 2015Provider: repository / Type: Initial release
Revision 1.1Dec 16, 2015Group: Database references
Revision 1.2Aug 30, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3Jan 10, 2024Group: 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: Bd0816
B: Bd3460
C: Bd0816
D: Bd3460
E: Bd0816
F: Bd3460
G: Bd0816
H: Bd3460
I: Bd0816
J: Bd3460
K: Bd0816
L: Bd3460
hetero molecules


Theoretical massNumber of molelcules
Total (without water)390,49513
Polymers390,43312
Non-polymers621
Water24,4281356
1
A: Bd0816
B: Bd3460


Theoretical massNumber of molelcules
Total (without water)65,0722
Polymers65,0722
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
C: Bd0816
D: Bd3460


Theoretical massNumber of molelcules
Total (without water)65,0722
Polymers65,0722
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
E: Bd0816
F: Bd3460


Theoretical massNumber of molelcules
Total (without water)65,0722
Polymers65,0722
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
G: Bd0816
H: Bd3460


Theoretical massNumber of molelcules
Total (without water)65,0722
Polymers65,0722
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
5
I: Bd0816
J: Bd3460
hetero molecules


Theoretical massNumber of molelcules
Total (without water)65,1343
Polymers65,0722
Non-polymers621
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
6
K: Bd0816
L: Bd3460


Theoretical massNumber of molelcules
Total (without water)65,0722
Polymers65,0722
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)237.450, 212.320, 90.900
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
12A
22E
13A
23G
14A
24I
15A
25K
16B
26D
17B
27F
18B
28H
19B
29J
110B
210L
111C
211E
112C
212G
113C
213I
114C
214K
115D
215F
116D
216H
117D
217J
118D
218L
119E
219G
120E
220I
121E
221K
122F
222H
123F
223J
124F
224L
125G
225I
126G
226K
127H
227J
128H
228L
129I
229K
130J
230L

NCS domain segments:
Dom-IDComponent-IDEns-IDRefine codeAuth asym-IDAuth seq-ID
1010A1 - 401
2010C1 - 401
1020A1 - 401
2020E1 - 401
1030A1 - 398
2030G1 - 398
1040A1 - 401
2040I1 - 401
1050A1 - 399
2050K1 - 399
1060B28 - 220
2060D28 - 220
1070B28 - 220
2070F28 - 220
1080B28 - 220
2080H28 - 220
1090B28 - 220
2090J28 - 220
10100B28 - 220
20100L28 - 220
10110C1 - 401
20110E1 - 401
10120C1 - 398
20120G1 - 398
10130C1 - 401
20130I1 - 401
10140C1 - 399
20140K1 - 399
10150D28 - 220
20150F28 - 220
10160D28 - 220
20160H28 - 220
10170D28 - 220
20170J28 - 220
10180D28 - 220
20180L28 - 220
10190E1 - 398
20190G1 - 398
10200E1 - 401
20200I1 - 401
10210E1 - 399
20210K1 - 399
10220F28 - 220
20220H28 - 220
10230F28 - 220
20230J28 - 220
10240F28 - 220
20240L28 - 220
10250G1 - 398
20250I1 - 398
10260G1 - 398
20260K1 - 398
10270H28 - 220
20270J28 - 220
10280H28 - 220
20280L28 - 220
10290I1 - 399
20290K1 - 399
10300J28 - 220
20300L28 - 220

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30

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Components

#1: Protein
Bd0816


Mass: 44521.594 Da / Num. of mol.: 6 / Fragment: Bd0816 / Mutation: K26M, S58A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bdellovibrio bacteriovorus HD100 (bacteria)
Gene: Bd0816 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q6MPN2, serine-type D-Ala-D-Ala carboxypeptidase
#2: Protein
Bd3460


Mass: 20550.508 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bdellovibrio bacteriovorus HD100 (bacteria)
Gene: Bd3460 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q6MHS9
#3: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1356 / 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: 2.63 Å3/Da / Density % sol: 53.16 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 / Details: 0.1M Na HEPES pH 7.5, 0.2M MgCl2, 25% w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.92001 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Sep 26, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.92001 Å / Relative weight: 1
ReflectionResolution: 2.48→100 Å / Num. obs: 153169 / % possible obs: 99 % / Redundancy: 13.5 % / Rsym value: 0.156 / Net I/σ(I): 15.1
Reflection shellRedundancy: 14 % / Mean I/σ(I) obs: 15.1 / Rsym value: 0.753

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Processing

Software
NameVersionClassification
REFMAC5.8.0103refinement
PDB_EXTRACT3.15data extraction
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5CEC
Resolution: 2.48→100 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.888 / SU B: 18.896 / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.472 / ESU R Free: 0.273 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2491 7978 5 %RANDOM
Rwork0.215 ---
obs0.2167 153169 98.79 %-
Solvent computationIon probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1 Å / Solvent model: MASK
Displacement parametersBiso max: 238.35 Å2 / Biso mean: 43.935 Å2 / Biso min: 6.17 Å2
Baniso -1Baniso -2Baniso -3
1-2.18 Å2-0 Å20 Å2
2---0.49 Å2-0 Å2
3----1.69 Å2
Refinement stepCycle: final / Resolution: 2.48→100 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms27359 0 4 1356 28719
Biso mean--36.78 34.22 -
Num. residues----3561
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0140.01927725
X-RAY DIFFRACTIONr_bond_other_d0.010.0227363
X-RAY DIFFRACTIONr_angle_refined_deg1.6831.96637344
X-RAY DIFFRACTIONr_angle_other_deg1.861363069
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.43753548
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.43526.0171175
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.141155239
X-RAY DIFFRACTIONr_dihedral_angle_4_deg13.9821596
X-RAY DIFFRACTIONr_chiral_restr0.0980.24324
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.0231455
X-RAY DIFFRACTIONr_gen_planes_other0.0070.025917
X-RAY DIFFRACTIONr_mcbond_it1.1172.01714231
X-RAY DIFFRACTIONr_mcbond_other1.1172.01714230
X-RAY DIFFRACTIONr_mcangle_it1.8193.02217763
Refine LS restraints NCS

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

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A497320.08
12C497320.08
21A490000.08
22E490000.08
31A492280.09
32G492280.09
41A491280.08
42I491280.08
51A484240.1
52K484240.1
61B240280.08
62D240280.08
71B238060.08
72F238060.08
81B238460.09
82H238460.09
91B236900.1
92J236900.1
101B236600.09
102L236600.09
111C491720.09
112E491720.09
121C491160.09
122G491160.09
131C491240.09
132I491240.09
141C489460.09
142K489460.09
151D238480.09
152F238480.09
161D238820.09
162H238820.09
171D238540.09
172J238540.09
181D236060.1
182L236060.1
191E494920.08
192G494920.08
201E495640.08
202I495640.08
211E491580.08
212K491580.08
221F239780.08
222H239780.08
231F236260.09
232J236260.09
241F240380.08
242L240380.08
251G493580.09
252I493580.09
261G493300.08
262K493300.08
271H238100.09
272J238100.09
281H239140.09
282L239140.09
291I493860.08
292K493860.08
301J235600.1
302L235600.1
LS refinement shellResolution: 2.48→2.544 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.29 563 -
Rwork0.257 11331 -
all-11894 -
obs--99.44 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.56750.20690.38720.87190.30770.941-0.0444-0.02940.0326-0.00990.0105-0.1045-0.09020.20110.03390.0347-0.0371-0.02590.15080.00030.0425-39.94930.864-28.22
22.86931.6108-0.33751.4655-2.48819.60110.05540.2035-0.0045-0.059-0.03510.00620.21490.4945-0.02030.28-0.01740.00870.2791-0.00880.1654-31.34342.618-37.565
32.43740.7105-0.54532.7126-0.8733.9475-0.09450.07320.25730.04210.0762-0.1648-0.18880.02330.01830.1357-0.0577-0.08910.1803-0.05450.1456-34.42742.542-16.529
41.18370.05750.33181.31770.25421.50390.02370.01770.021-0.01960.0431-0.0060.10240.1111-0.06670.0537-0.0146-0.03220.09-0.01130.0259-47.38323.64-35.201
51.0358-0.53250.10197.2574-1.74192.66780.0196-0.10730.00930.03920.08240.3178-0.02310.0251-0.1020.0254-0.0093-0.02330.0921-0.00540.0447-64.08719.77-38.086
612.77066.88034.86194.35422.13163.39540.4296-0.62120.01150.2563-0.3961-0.07660.2298-0.2725-0.03350.1552-0.0316-0.01110.1427-0.0080.024-43.85725.915-15.418
76.61212.38652.51239.4275-4.05269.6526-0.49180.24671.063-0.18550.095-0.646-1.10780.04460.39680.3177-0.0538-0.07550.22470.020.4602-55.65653.202-37.895
81.6407-0.43990.23944.2505-1.27782.589-0.0435-0.15630.42860.0736-0.1914-0.2404-0.35120.00610.23490.16330.0116-0.1120.115-0.02990.1811-66.72845.879-34.972
90.16340.13860.25445.33443.93857.2150.0135-0.12730.06070.41170.1536-0.10520.0932-0.2084-0.16710.08190.0427-0.04560.1931-0.02290.1305-75.9739.403-33.592
102.09290.74180.34614.10990.16910.4405-0.0369-0.25880.01770.441-0.03230.20110.0183-0.15510.06920.07060.0066-0.01350.2699-0.01890.1207-79.26329.526-30.562
114.2207-1.52831.35282.5751.59375.92920.0579-0.4135-0.63810.09810.00710.3035-0.2013-0.404-0.0650.1-0.04460.00810.21680.06070.1811-84.119.293-31.353
1215.6122-1.26910.04641.1739-2.0173.85080.131-1.4124-1.47380.3335-0.07890.2357-0.56840.264-0.05210.5275-0.11260.22830.53870.02180.7081-82.23911.641-25.741
130.42230.04490.39990.98650.13991.46480.10860.2552-0.0408-0.12060.0471-0.35040.34130.4569-0.15570.20460.083-0.02830.2582-0.03870.1724-41.635-15.779-70.626
145.31562.3665-0.05644.74680.60764.46220.09530.49350.10520.1314-0.0105-1.01220.22560.8854-0.08480.27350.2174-0.08270.6476-0.10240.5448-26.836-20.929-66.254
158.40091.42651.03561.5145-0.55663.64570.1626-0.2767-0.24310.229-0.0521-0.19150.56230.2988-0.11050.56340.1591-0.17420.1409-0.07120.1717-40.6-35.796-67.128
165.81721.25592.13243.98051.79981.2754-0.05770.1497-0.3314-1.0270.4348-0.6966-0.3330.2984-0.37710.54460.27490.08271.0364-0.08730.4389-24.644-25.012-83.849
171.0742-0.28440.23181.01350.22271.82040.03120.06710.0054-0.07110.0049-0.06220.06590.1452-0.03610.07520.0016-0.0480.0479-0.01220.049-52.374-6.013-63.916
186.0563-4.8149-3.714.94043.52453.77920.02550.1137-0.4476-0.1121-0.02680.28860.15340.0410.00120.1989-0.057-0.08540.07550.00270.1009-58.596-19.333-67.782
1911.05514.2455.23696.18677.65119.79840.17790.1140.05850.5280.3644-0.7160.66160.8022-0.54230.28110.1132-0.12350.53090.19450.5641-31.089-15.303-44.159
202.25170.53331.64937.2424-1.89071.9768-0.042-0.1336-0.073-0.14990.0394-0.32460.0736-0.01440.00260.16510.1129-0.07960.3614-0.04620.1473-38.47-10.915-36.864
214.1518-1.24340.261210.6673-0.7623.1280.0395-0.0039-0.43840.57270.0226-0.11280.65740.4032-0.06210.34010.1036-0.05830.1289-0.04160.0912-40.809-21.24-42.694
222.2304-0.0449-0.06842.9956-0.63131.5460.0742-0.1891-0.30820.1441-0.0528-0.05820.49210.0822-0.02140.28860.0587-0.07510.06390.00690.071-50.589-15.814-37.901
232.8024-0.05210.04992.3208-0.80952.9220.1009-0.0089-0.17310.04820.0365-0.06490.5153-0.1371-0.13740.1762-0.0727-0.07410.08740.01750.0551-66.385-16.247-39.658
242.9707-0.81531.35494.37430.14726.02510.0073-0.2201-0.18130.0343-0.01150.61040.3407-0.65510.00420.0853-0.0680.00280.26890.03970.1546-78.481-9.201-41.42
250.30080.3456-0.14960.81280.28390.6129-0.03450.04420.1072-0.16050.16880.0971-0.09360.0521-0.13430.117-0.0706-0.06370.14660.0720.113-69.38135.099-71.379
260.74050.2815-0.37283.2693-0.45112.2708-0.04940.08470.0506-0.90420.20780.2850.1731-0.0731-0.15840.5033-0.1604-0.18160.13590.08240.1044-74.06542.745-95.617
271.68580.0546-0.76953.5628-0.7443.0276-0.08160.1190.0584-0.64930.22020.34370.1202-0.2336-0.13860.3979-0.1082-0.23510.23870.06710.1699-78.22450.578-93.746
280.74270.16730.10712.0365-0.22391.4875-0.0513-0.03880.0456-0.15160.07670.1341-0.058-0.0015-0.02540.1129-0.0632-0.07460.13180.05840.0556-70.70629.895-70.683
292.1877-2.4267-4.35334.75555.68159.587-0.2268-0.05750.01260.26170.18150.30280.57330.03950.04520.1021-0.0889-0.05040.22470.0540.0887-79.66617.293-64.33
301.73072.0894-2.14797.8239-6.37866.8107-0.05120.11480.20680.04820.4680.2984-0.1287-0.3966-0.41680.1097-0.0687-0.13570.16120.12480.3469-85.38544.66-79.685
317.4271-2.319-2.70876.7448-0.19525.2574-0.05120.7776-0.4018-1.162-0.282-0.36790.03290.07590.33320.4648-0.1473-0.00840.40530.04510.1932-70.71116.125-98.239
323.2224-2.09471.37114.4785-0.21686.14250.13120.32980.12-0.8051-0.0420.08910.1257-0.0278-0.08920.3979-0.1205-0.12760.22110.00040.0851-77.23111.653-93.55
332.16191.05980.20552.82420.79251.5877-0.16780.16940.0108-0.420.11710.53750.0388-0.10110.05070.2252-0.1064-0.17090.15950.04260.1783-83.9637.884-81.812
342.8084-2.84424.59074.2729-6.14489.1540.2834-0.2306-0.25780.21650.76941.0742-0.1911-0.8641-1.05280.34230.0567-0.13790.62120.27551.4491-96.079.383-79.494
350.67830.96110.25995.45262.0173.05910.0618-0.10580.00610.3537-0.10110.69780.2419-0.51860.03930.0873-0.10540.0050.25770.04810.2411-91.7154.899-63.57
365.92336.7812-10.6377.8916-12.345219.37470.13070.03110.40650.02260.3830.45220.0343-0.4805-0.51370.4665-0.19510.17640.8864-0.06550.821-98.13211.607-55.585
371.34430.0815-0.29120.50660.16630.8360.09550.0940.3662-0.17310.0163-0.0794-0.31910.2656-0.11180.2046-0.09510.05890.2361-0.01040.2126-101.70463.422-68.017
385.08893.4719-1.84022.4244-1.02933.0995-0.0470.48831.18270.03030.28860.7717-0.2575-0.2958-0.24160.4825-0.1290.08880.40520.04340.5986-102.67477.97-63.564
393.76110.3076-0.49973.068-0.12912.0872-0.0728-0.11610.42230.12270.1385-0.114-0.55550.3465-0.06570.2756-0.17850.09480.4148-0.11810.3173-86.55671.478-66.62
401.54650.2657-0.65891.1885-0.26242.42670.07230.19810.1611-0.09650.0309-0.0884-0.3070.1125-0.10320.1013-0.06450.04790.156-0.04170.139-108.4456.322-64.928
411.1814-0.9512-0.96873.97262.51643.0054-0.06510.02870.05460.27290.1239-0.11210.13940.0696-0.05870.0368-0.04070.01240.1559-0.02980.1297-112.3444.532-49.936
424.61336.6262-4.367110.1716-6.31054.1636-0.093-0.02660.0276-0.1470.161-0.09740.06530.0833-0.0680.0587-0.04320.03460.3358-0.07380.218-93.92548.971-65.41
431.3282-1.7139-3.10098.32040.530110.61470.3461-0.08330.32840.38310.0062-0.0467-1.1968-0.0124-0.35230.3827-0.07160.0850.2565-0.0770.4295-103.9875.404-41.227
4414.18965.6060.40933.16341.89263.17810.0277-0.13990.2973-0.3026-0.1640.1706-0.5335-0.24880.13620.2701-0.03950.07150.3247-0.11240.2282-107.54768.016-33.573
4511.3212.5582.92517.01870.20672.3565-0.2860.15190.2042-0.13120.2676-0.2601-0.41630.3130.01840.1495-0.16850.07390.355-0.06560.1873-96.95466.498-39.279
460.7916-0.4883-0.4992.56180.28261.216-0.0127-0.22950.03680.17250.0081-0.18410.02660.32840.00460.0214-0.0354-0.01730.3142-0.07040.1395-99.95946.861-34.919
471.1626-0.45840.25842.48630.598614.4780.0311-0.0664-0.33480.12830.02070.21770.70050.129-0.05180.09-0.02230.01510.19140.0140.3019-107.6528.717-35.99
4812.9702-0.8533-13.382524.3315-4.310814.9619-0.7775-0.2126-0.6987-0.04570.1153-0.34490.89770.14330.66230.53180.0584-0.21120.31020.10060.4803-98.53723.227-40.356
490.6347-0.1552-0.13541.20220.41361.39590.0258-0.08460.0407-0.18520.0118-0.0022-0.242-0.1195-0.03760.0715-0.00470.00620.1353-0.02080.0263-140.00459.242-29.206
500.65830.2533-0.80641.99931.24852.9233-0.0387-0.0013-0.0369-0.1646-0.17530.4178-0.3362-0.53540.2140.13870.12190.03960.4526-0.02610.2127-158.60865.899-17.306
513.7862-0.34660.84472.9228-0.93424.863-0.01620.02930.0552-0.0142-0.01540.4122-0.0763-0.33420.03160.09590.02220.04810.2999-0.1060.1345-156.24368.04-8.793
521.6868-0.7304-0.6372.26890.60661.90250.072-0.0545-0.028-0.1445-0.0351-0.014-0.0005-0.0385-0.03690.031-0.0140.00460.111-0.03130.02-139.93156.298-29.797
534.82960.86761.16860.96760.41661.52930.1099-0.0469-0.382-0.0585-0.0154-0.13260.0607-0.013-0.09450.0956-0.00520.02120.0807-0.02490.0525-136.34839.987-34.168
546.5254-8.7353-1.771212.84383.89964.5148-0.1213-0.13110.03930.48290.1001-0.22780.3867-0.07970.02120.15220.0219-0.00730.2791-0.01540.119-141.96859.563-10.058
555.8543-0.57380.839511.51015.47289.24810.47840.09470.2525-0.0113-0.59910.7729-0.0325-1.07250.12070.21340.01490.0750.3899-0.12130.3383-166.81844.57-32.146
563.7315-0.9364-3.64190.36870.1048.48920.11920.07190.31120.05750.0398-0.105-0.69-0.3222-0.1590.19030.00060.04930.4459-0.06760.4008-172.47638.117-35.01
574.56332.57794.11484.22426.13139.0756-0.68890.00990.7774-0.1275-0.57080.9926-0.3772-0.57941.25970.3865-0.14920.09970.4571-0.26580.5214-159.74136.777-32.966
583.1327-0.65120.96172.6620.17642.4149-0.0103-0.38330.07470.6481-0.11050.09530.1513-0.36460.12070.3207-0.15530.08590.2105-0.0470.0342-154.80629.609-27.643
594.33310.44520.83754.14030.46871.40770.1615-0.3421-0.51040.5492-0.0467-0.60310.4890.0861-0.11480.5969-0.0307-0.09840.18030.06070.1981-136.83919.436-27.26
602.8374-4.5473-1.68347.28792.69711.0158-0.2872-0.1533-0.17630.41630.2120.28510.10670.17940.07520.5661-0.0796-0.19390.52480.04060.6601-124.61620.996-21.847
610.92420.6085-1.1860.9468-0.0692.48950.01590.17450.0869-0.0158-0.00380.1203-0.0816-0.3677-0.01210.04210.00930.01970.09620.01570.062-148.10333.071-64.274
622.17520.73820.7911.68560.50784.3075-0.03050.2086-0.0151-0.34710.12360.28490.5492-1.3171-0.09310.3314-0.2105-0.05520.60640.08560.0996-160.63725.947-91.038
632.51710.5584-0.983910.42351.16917.93870.10770.47910.1838-1.0057-0.0774-0.7157-0.1321-0.6773-0.03030.3101-0.04920.02190.45920.09630.2071-153.80929.442-93.549
641.1833-0.83210.53068.1913-2.50336.2925-0.03470.36960.0903-0.1551-0.04970.10091.0487-0.48710.08450.2856-0.2807-0.0220.4953-0.01590.1962-160.78620.012-91.54
651.4709-0.1039-0.02271.4623-0.33252.9016-0.01270.19650.1869-0.05470.05780.275-0.0121-0.6663-0.04510.0621-0.00690.01980.25670.03130.099-154.45935.249-75.047
661.2114-0.0812-0.36980.6297-0.57472.69210.0268-0.0075-0.08010.0386-0.001-0.01020.3568-0.1679-0.02570.1108-0.05260.0150.0549-0.02920.0515-142.01624.739-64.271
6711.79062.34220.14714.6747-3.6288.06970.0480.77960.6223-0.1440.43490.194-0.4751-0.4814-0.48290.35670.06580.07460.24550.05220.1999-131.44533.026-90.592
6823.00140.7293-5.45846.07080.6461.7072-0.42941.051.2389-1.21150.30030.10260.0806-0.5470.12910.7202-0.03480.11210.6222-0.1970.6705-129.85531.452-99.869
696.34112.6891-0.28675.26740.10925.2086-0.11560.6775-0.072-0.69370.1788-0.04930.1096-0.0693-0.06320.2283-0.02230.04750.2227-0.00590.0503-125.80125.944-89.03
701.9880.2514-0.81112.5813-0.61474.0867-0.00560.2168-0.3107-0.15740.1133-0.20490.29450.0715-0.10770.08930.01010.03450.0865-0.07040.1167-121.75519.582-76.947
712.7285-0.3511-0.15852.8490.60313.7363-0.1099-0.2608-0.42180.0424-0.0007-0.25990.57410.44960.11060.1340.08760.0150.1190.03010.2723-119.16511.796-61.039
724.5196-4.356112.85894.3173-12.559236.83680.8738-0.029-0.7192-0.30140.44620.40571.3604-0.2577-1.32011.08120.3904-0.73410.6502-0.06091.8465-120.6924.467-51.353
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A26 - 124
2X-RAY DIFFRACTION2A125 - 136
3X-RAY DIFFRACTION3A137 - 195
4X-RAY DIFFRACTION4A196 - 333
5X-RAY DIFFRACTION5A334 - 381
6X-RAY DIFFRACTION6A382 - 401
7X-RAY DIFFRACTION7B28 - 54
8X-RAY DIFFRACTION8B55 - 114
9X-RAY DIFFRACTION9B115 - 131
10X-RAY DIFFRACTION10B132 - 176
11X-RAY DIFFRACTION11B177 - 209
12X-RAY DIFFRACTION12B210 - 220
13X-RAY DIFFRACTION13C26 - 125
14X-RAY DIFFRACTION14C126 - 152
15X-RAY DIFFRACTION15C153 - 177
16X-RAY DIFFRACTION16C178 - 198
17X-RAY DIFFRACTION17C199 - 370
18X-RAY DIFFRACTION18C371 - 401
19X-RAY DIFFRACTION19D28 - 54
20X-RAY DIFFRACTION20D55 - 68
21X-RAY DIFFRACTION21D69 - 86
22X-RAY DIFFRACTION22D87 - 129
23X-RAY DIFFRACTION23D130 - 188
24X-RAY DIFFRACTION24D189 - 220
25X-RAY DIFFRACTION25E26 - 65
26X-RAY DIFFRACTION26E66 - 157
27X-RAY DIFFRACTION27E158 - 204
28X-RAY DIFFRACTION28E205 - 354
29X-RAY DIFFRACTION29E355 - 381
30X-RAY DIFFRACTION30E382 - 401
31X-RAY DIFFRACTION31F28 - 53
32X-RAY DIFFRACTION32F54 - 86
33X-RAY DIFFRACTION33F87 - 142
34X-RAY DIFFRACTION34F143 - 154
35X-RAY DIFFRACTION35F155 - 209
36X-RAY DIFFRACTION36F210 - 220
37X-RAY DIFFRACTION37G26 - 118
38X-RAY DIFFRACTION38G119 - 147
39X-RAY DIFFRACTION39G148 - 187
40X-RAY DIFFRACTION40G188 - 333
41X-RAY DIFFRACTION41G334 - 375
42X-RAY DIFFRACTION42G376 - 399
43X-RAY DIFFRACTION43H28 - 54
44X-RAY DIFFRACTION44H55 - 68
45X-RAY DIFFRACTION45H69 - 86
46X-RAY DIFFRACTION46H87 - 189
47X-RAY DIFFRACTION47H190 - 213
48X-RAY DIFFRACTION48H214 - 220
49X-RAY DIFFRACTION49I26 - 70
50X-RAY DIFFRACTION50I71 - 152
51X-RAY DIFFRACTION51I153 - 193
52X-RAY DIFFRACTION52I194 - 321
53X-RAY DIFFRACTION53I322 - 382
54X-RAY DIFFRACTION54I383 - 401
55X-RAY DIFFRACTION55J28 - 50
56X-RAY DIFFRACTION56J51 - 60
57X-RAY DIFFRACTION57J61 - 76
58X-RAY DIFFRACTION58J77 - 145
59X-RAY DIFFRACTION59J146 - 209
60X-RAY DIFFRACTION60J210 - 220
61X-RAY DIFFRACTION61K26 - 59
62X-RAY DIFFRACTION62K60 - 125
63X-RAY DIFFRACTION63K126 - 157
64X-RAY DIFFRACTION64K158 - 186
65X-RAY DIFFRACTION65K187 - 264
66X-RAY DIFFRACTION66K265 - 400
67X-RAY DIFFRACTION67L28 - 45
68X-RAY DIFFRACTION68L46 - 54
69X-RAY DIFFRACTION69L55 - 87
70X-RAY DIFFRACTION70L88 - 143
71X-RAY DIFFRACTION71L144 - 214
72X-RAY DIFFRACTION72L215 - 220

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