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- PDB-5dsc: Context-independent anti-hypusine antibody FabHpu24.B in complex ... -

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Basic information

Entry
Database: PDB / ID: 5dsc
TitleContext-independent anti-hypusine antibody FabHpu24.B in complex with hypusine
Components
  • Fab Hou24.B Light Chain
  • Fab Hpu24.B Heavy Chain
  • Peptide: GLY-HPU-GLY-SER-GLY
KeywordsIMMUNE SYSTEM / hypusine / antibody / FabHpu24.B / eIF5A
Function / homologyImmunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Function and homology information
Biological speciesOryctolagus cuniculus (rabbit)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsZhai, Q. / Carter, P.J.
CitationJournal: J.Mol.Biol. / Year: 2016
Title: Structural Analysis and Optimization of Context-Independent Anti-Hypusine Antibodies.
Authors: Zhai, Q. / He, M. / Song, A. / Deshayes, K. / Dixit, V.M. / Carter, P.J.
History
DepositionSep 17, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 20, 2016Provider: repository / Type: Initial release
Revision 1.1Feb 3, 2016Group: Database references
Revision 1.2Mar 2, 2016Group: Database references
Revision 1.3May 4, 2016Group: Non-polymer description
Revision 2.0Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Polymer sequence / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / entity_poly / pdbx_initial_refinement_model / pdbx_struct_oper_list / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_struct_oper_list.symmetry_operation / _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
Revision 2.1Nov 15, 2023Group: Data collection / Derived calculations / Category: chem_comp_atom / chem_comp_bond / struct_conn
Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2 / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Fab Hpu24.B Heavy Chain
B: Fab Hou24.B Light Chain
C: Fab Hpu24.B Heavy Chain
D: Fab Hou24.B Light Chain
E: Fab Hpu24.B Heavy Chain
F: Fab Hou24.B Light Chain
H: Fab Hpu24.B Heavy Chain
L: Fab Hou24.B Light Chain
P: Peptide: GLY-HPU-GLY-SER-GLY
Q: Peptide: GLY-HPU-GLY-SER-GLY
M: Peptide: GLY-HPU-GLY-SER-GLY
N: Peptide: GLY-HPU-GLY-SER-GLY


Theoretical massNumber of molelcules
Total (without water)188,08212
Polymers188,08212
Non-polymers00
Water4,972276
1
A: Fab Hpu24.B Heavy Chain
B: Fab Hou24.B Light Chain
Q: Peptide: GLY-HPU-GLY-SER-GLY


Theoretical massNumber of molelcules
Total (without water)47,0203
Polymers47,0203
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Fab Hpu24.B Heavy Chain
D: Fab Hou24.B Light Chain
P: Peptide: GLY-HPU-GLY-SER-GLY


Theoretical massNumber of molelcules
Total (without water)47,0203
Polymers47,0203
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: Fab Hpu24.B Heavy Chain
F: Fab Hou24.B Light Chain
M: Peptide: GLY-HPU-GLY-SER-GLY


Theoretical massNumber of molelcules
Total (without water)47,0203
Polymers47,0203
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
H: Fab Hpu24.B Heavy Chain
L: Fab Hou24.B Light Chain
N: Peptide: GLY-HPU-GLY-SER-GLY


Theoretical massNumber of molelcules
Total (without water)47,0203
Polymers47,0203
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)69.082, 167.945, 84.927
Angle α, β, γ (deg.)90.000, 99.680, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain A
21chain C
31chain E
41chain H
12chain B
22chain D
32chain F
42chain L
13chain M
23chain N
33chain P
43chain Q

NCS domain segments:

Component-ID: 1

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLUGLUPROPROchain AAA2 - 2102 - 217
21GLUGLUALAALAchain CCC2 - 2092 - 216
31PCAPCASERSERchain EEE1 - 2111 - 218
41PCAPCAPROPROchain HHG1 - 2101 - 217
12LEULEUCYSCYSchain BBB4 - 2114 - 215
22LEULEUCYSCYSchain DDD4 - 2114 - 215
32THRTHRCYSCYSchain FFF5 - 2115 - 215
42LEULEUARGARGchain LLH4 - 2084 - 212
13GLYGLYGLYGLYchain MMK3 - 71 - 5
23GLYGLYGLYGLYchain NNL3 - 71 - 5
33GLYGLYGLYGLYchain PPI3 - 71 - 5
43GLYGLYGLYGLYchain QQJ3 - 71 - 5

NCS ensembles :
ID
1
2
3

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Components

#1: Antibody
Fab Hpu24.B Heavy Chain


Mass: 23690.756 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Production host: Cricetulus griseus (Chinese hamster)
#2: Antibody
Fab Hou24.B Light Chain


Mass: 22838.168 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Production host: Cricetulus griseus (Chinese hamster)
#3: Protein/peptide
Peptide: GLY-HPU-GLY-SER-GLY


Mass: 491.541 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 276 / 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: 2.57 Å3/Da / Density % sol: 52.22 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / Details: 14% PEG 6000 0.5M NaCl 10mg/ml

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 24, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.4→49 Å / Num. obs: 73996 / % possible obs: 100 % / Redundancy: 1.9 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 15.4
Reflection shellResolution: 2.4→2.49 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.415 / Mean I/σ(I) obs: 2 / % possible all: 95.2

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Processing

Software
NameVersionClassification
HKL-2000data reduction
HKL-2000data scaling
PHENIX1.8.2_1309refinement
PDB_EXTRACT3.15data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5DRN
Resolution: 2.4→49 Å / FOM work R set: 0.7712 / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 29.59 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2481 3723 5.03 %
Rwork0.2072 70273 -
obs0.2093 73996 99.48 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 206.54 Å2 / Biso mean: 39.9 Å2 / Biso min: 8.93 Å2
Refinement stepCycle: final / Resolution: 2.4→49 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12758 0 0 276 13034
Biso mean---32.1 -
Num. residues----1710
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00413100
X-RAY DIFFRACTIONf_angle_d0.91317871
X-RAY DIFFRACTIONf_chiral_restr0.0342104
X-RAY DIFFRACTIONf_plane_restr0.0042266
X-RAY DIFFRACTIONf_dihedral_angle_d11.3894588
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3823X-RAY DIFFRACTION6.982TORSIONAL
12C3823X-RAY DIFFRACTION6.982TORSIONAL
13E3823X-RAY DIFFRACTION6.982TORSIONAL
14H3823X-RAY DIFFRACTION6.982TORSIONAL
21B3789X-RAY DIFFRACTION6.982TORSIONAL
22D3789X-RAY DIFFRACTION6.982TORSIONAL
23F3789X-RAY DIFFRACTION6.982TORSIONAL
24L3789X-RAY DIFFRACTION6.982TORSIONAL
31M28X-RAY DIFFRACTION6.982TORSIONAL
32N28X-RAY DIFFRACTION6.982TORSIONAL
33P28X-RAY DIFFRACTION6.982TORSIONAL
34Q28X-RAY DIFFRACTION6.982TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 27

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.4-2.43020.35031290.30142441257094
2.4302-2.46220.32821220.290526442766100
2.4622-2.49590.33011350.280826102745100
2.4959-2.53160.37241200.279325752695100
2.5316-2.56940.31661240.270427012825100
2.5694-2.60950.31171420.262625182660100
2.6095-2.65230.31321260.250726632789100
2.6523-2.6980.29651170.247425902707100
2.698-2.74710.30291490.239126252774100
2.7471-2.79990.28931400.233525782718100
2.7999-2.85710.24821280.240326272755100
2.8571-2.91920.28611350.24182572270799
2.9192-2.98710.30161650.244725862751100
2.9871-3.06180.2671540.23892574272899
3.0618-3.14450.28771560.23312605276199
3.1445-3.2370.28611380.231125962734100
3.237-3.34150.26121430.22525882731100
3.3415-3.46090.26281310.231426372768100
3.4609-3.59940.26361440.214325802724100
3.5994-3.76320.25891230.214726242747100
3.7632-3.96150.20881360.193326242760100
3.9615-4.20960.19211190.177226472766100
4.2096-4.53440.21051510.148726002751100
4.5344-4.99030.18661380.143726202758100
4.9903-5.71150.18581450.159726262771100
5.7115-7.19220.22971650.193426012766100
7.1922-48.96140.20171480.16532621276999
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)
10.2163-0.1031-0.21850.7227-0.06410.3025-0.0359-0.08690.0204-0.12090.15040.2219-0.0961-0.04550.37150.2338-0.01110.0140.2410.0540.179318.6362-12.98570.1798
20.02950.0464-0.07040.267-0.13260.1894-0.0366-0.0852-0.1812-0.21480.06630.0895-0.0989-0.0026-0.00090.27450.0057-0.02560.2589-0.02440.279733.7023-19.73763.4547
30.1499-0.13720.07580.2097-0.12840.0873-0.1972-0.035-0.16720.0962-0.0014-0.07910.03770.0199-0.03090.1971-0.02350.02940.2525-0.00290.229448.8919-21.78275.2864
40.0937-0.040.10680.0361-0.00030.21810.1140.015-0.1049-0.04910.04510.13850.0446-0.00510.02950.204-0.00090.06940.22920.07930.660221.8837-41.42864.1709
50.3084-0.2381-0.1750.17030.13640.1102-0.1405-0.18-0.05230.03130.06860.2391-0.01990.1397-0.02770.2425-0.012-0.12940.32660.12651.05898.0792-34.4766-0.3787
60.0275-0.01190.07740.02080.02010.33570.1837-0.0136-0.5016-0.26950.19830.76490.08770.03880.4437-0.0557-0.0063-0.23560.20740.0170.69217.8435-33.2798-4.8829
70.0637-0.07320.01530.0927-0.01450.01580.06560.0026-0.06390.0514-0.0307-0.02930.1208-0.0264-0.010.10790.0661-0.09150.36270.28920.529121.6972-34.80213.5852
80.05280.0957-0.00220.2733-0.10760.30760.01320.0112-0.06970.0821-0.07980.0564-0.19260.0398-0.15290.16610.0411-0.06430.1094-0.2240.370349.8195-38.45989.1154
90.1891-0.2169-0.11480.53270.13820.0779-0.08160.043-0.17510.26850.07160.1629-0.09360.0504-0.03890.2313-0.0043-0.08280.23580.00280.220748.6358-32.908815.9452
100.0025-0.0125-0.00830.04330.01690.0104-0.1052-0.0497-0.1047-0.01760.0230.18480.0772-0.0702-00.2555-0.0303-0.0210.26790.03140.234942.0808-35.904512.6406
110.00870.0327-0.00610.0241-0.01720.0479-0.0969-0.0826-0.10040.29270.1346-0.20520.13720.0068-0.00260.26980.039-0.06690.3079-0.02660.262753.5746-35.230920.7894
120.0321-0.05570.00630.05830.02440.0142-0.1087-0.07590.1048-0.0809-0.0884-0.2179-0.15820.0602-0.01760.2337-0.0130.04810.2666-0.0510.233319.4312-6.848644.3495
130.03370.01430.02530.31210.1280.24710.0187-0.2040.0889-0.3135-0.04-0.2245-0.1220.04280.07220.231-0.03910.08540.231-0.0697-0.09639.125-11.544938.3993
140.0068-0.0487-0.00980.09760.04340.0220.2165-0.1070.1625-0.1116-0.0845-0.0128-0.077-0.090.12380.1952-0.09120.24470.231-0.0299-0.06775.8798-7.737644.7252
150.00870.06550.0650.08640.07670.0613-0.1175-0.20390.0661-0.219-0.02710.01530.1061-0.0454-0.10760.21480.02870.1167-0.0284-0.5077-0.437512.1966-10.816744.0069
160.0334-0.04180.00220.06540.00850.0146-0.03080.04020.0335-0.1056-0.0209-0.08360.0462-0.038-0.06360.2563-0.03540.0240.2754-0.07320.126710.2222-16.895935.1624
170.06650.0404-0.09170.2736-0.31110.4216-0.127-0.0108-0.0597-0.0385-0.1231-0.16920.11720.0347-0.12970.233-0.04710.00440.2753-0.07730.378340.859-17.817452.9283
180.04390.05950.03150.05360.03470.0098-0.0116-0.0389-0.1462-0.0892-0.029-0.07040.0089-0.014700.2411-0.02650.07630.2677-0.09890.294137.6309-20.307247.4029
190.2084-0.06810.23280.11290.05910.5744-0.1908-0.0256-0.0076-0.126-0.1043-0.1293-0.1225-0.0025-0.09050.26-0.0780.05590.2793-0.01740.430845.746-14.283945.1206
200.0595-0.01340.08950.0508-0.01620.0539-0.05-0.0586-0.3005-0.02950.05920.39510.0283-0.0760.00290.1653-0.01760.0350.21440.03170.4425.9611-34.321442.1247
210.18560.00010.05920.0802-0.06050.07470.00230.0201-0.0954-0.15510.0733-0.11340.03060.13160.09830.2145-0.04720.05760.2382-0.03510.129815.2233-26.689537.3802
220.01130.0005-0.01550.02130.01140.0110.18840.2463-0.2627-0.281-0.04080.30510.0448-0.21120.00010.347-0.0276-0.03280.323-0.07460.528.0984-32.756730.5589
230.2659-0.12120.1040.10970.04580.12650.0287-0.2456-0.33610.10620.13390.1318-0.03340.1050.03330.1922-0.0140.03780.1803-0.03440.27719.3112-30.535339.2256
240.21050.06230.15220.19410.10080.10990.088-0.1032-0.10470.04430.0176-0.08240.1065-0.11480.18030.1981-0.0090.05190.29180.04870.227614.3012-31.971544.6412
250.1334-0.03930.03870.0818-0.07920.06840.02070.0768-0.10680.1034-0.01450.00790.07330.182500.2913-0.0221-0.07920.2626-0.05180.367439.6854-30.913956.6386
260.0077-0.0078-0.01150.0186-0.00990.0176-0.0571-0.0861-0.01960.1033-0.05540.06570.31750.0832-0.00010.33530.0247-0.08640.2881-0.01890.499546.8906-36.114460.9462
270.0082-0.02230.0010.0631-0.040.1863-0.03220.0084-0.14590.07660.00560.02150.1731-0.0513-0.00120.33550.046-0.03620.26960.01880.12087.253-84.61952.3078
280.1078-0.1363-0.0420.69970.12140.37570.1202-0.18510.2315-0.09270.0748-0.59920.1349-0.09210.17290.26720.042-0.06840.2767-0.10850.260718.6198-80.9459-1.5223
290.17140.11440.03720.08940.03080.0212-0.261-0.08510.03390.17310.214-0.0836-0.15160.0204-0.03670.42090.1212-0.18260.2549-0.04090.068313.7521-84.26968.0277
300.0455-0.0420.03250.12320.18860.5384-0.0649-0.09880.0678-0.2499-0.0706-0.471-0.0067-0.1365-0.06980.27280.01730.06280.20480.03840.267816.3924-75.13-5.8057
310.71580.36240.05120.5139-0.16910.21490.0101-0.10690.11220.0550.07630.24040.1387-0.22070.0080.30390.01850.04270.2408-0.02230.0349-15.1679-73.968611.9012
320.0957-0.0608-0.04790.23070.11650.10930.09260.13050.07-0.2015-0.19580.37630.1147-0.0998-0.27870.25910.03920.08370.2455-0.0563-0.1373-14.1698-72.87595.3027
330.10370.0257-0.12270.0364-0.02220.0706-0.20620.1849-0.08860.0250.1427-0.4817-0.07440.1166-0.00290.1877-0.0156-0.05190.328-0.07330.915820.9144-57.09961.2354
340.22370.1590.04110.1928-0.06820.22570.0049-0.05910.3592-0.0551-0.0514-0.71850.0592-0.01310.0050.1816-0.01870.11190.2005-0.0240.611316.5913-60.1994-6.5352
350.07570.0414-0.14960.0277-0.04280.28290.07860.0808-0.16890.0020.1194-0.53660.07650.16750.14820.14860.0314-0.07670.2917-0.09920.715616.8818-62.765-1.4563
360.00520.0061-0.00390.0069-0.00770.02310.1401-0.03860.01170.05430.1226-0.0636-0.01530.06280.27930.0918-0.0381-0.27820.2074-0.32820.62112.6838-59.59893.5992
370.4529-0.17610.0530.12810.02040.0317-0.10360.06850.17910.103-0.1096-0.19490.2187-0.1067-0.09330.23520.0220.00040.25250.02360.2042-15.4352-56.09888.9732
380.9734-0.55130.40730.3852-0.22850.2112-0.4012-0.03140.35910.15280.1108-0.26210.1412-0.0568-0.20840.30.03250.03590.2449-0.05550.0692-14.2753-61.853515.6645
390.0710.13610.02010.45960.00030.03-0.1128-0.00040.1967-0.04230.1529-0.4054-0.0613-0.0079-0.10560.27640.0113-0.04650.3031-0.03350.1781-7.6147-58.845812.4873
400.60820.2247-0.15510.2044-0.14040.1258-0.2161-0.21430.36460.08850.17720.03560.1242-0.144-0.0180.31350.030.01030.3035-0.00510.1557-19.215-59.679120.6267
410.0385-0.01930.0050.0665-0.03390.031-0.19150.0769-0.01060.02750.13730.07680.1331-0.0228-0.04590.43260.0384-0.06480.26080.01670.17531.138-81.584943.3858
420.19640.0672-0.2140.6091-0.22790.3918-0.0641-0.09690.3214-0.07490.2166-0.53850.14840.00920.04290.29530.0631-0.06760.2512-0.05520.317512.3237-77.835439.4886
430.15270.1185-0.02240.19090.08450.1228-0.2284-0.06080.0419-0.08790.0684-0.1902-0.01970.0246-0.04280.45980.0959-0.04920.30440.01730.17237.535-81.08449.1645
440.027-0.0301-0.07270.0150.03080.1794-0.0935-0.14580.0064-0.12610.0397-0.2188-0.0549-0.0921-0.0040.30710.0024-0.02020.19350.04640.25559.1987-73.204236.0244
450.0079-0.01710.00490.0319-0.04240.028-0.03860.03940.0544-0.17970.0476-0.1464-0.0222-0.0254-0.00030.3230.02130.01350.30010.01790.368910.4529-71.390734.5169
460.00460.02170.03330.02530.0370.09750.049-0.08760.12280.13640.0130.1073-0.17450.03420.14660.40950.11860.1530.32480.12240.236-18.8414-72.63153.3258
470.0065-0.0449-0.02990.07230.05710.0405-0.16290.1321-0.01690.37290.04190.2079-0.001-0.1746-0.18550.26280.1223-0.03020.17420.2539-0.5012-17.9095-68.844548.0433
480.0614-0.0241-0.01230.0340.02880.0189-0.11920.03740.03080.06-0.03080.3328-0.0746-0.0285-0.00160.15270.0302-0.03350.2691-0.01980.3467-26.0629-64.433544.9231
490.25790.23470.13030.23170.15040.1618-0.1046-0.08270.1695-0.02560.01570.28920.16990.0288-0.10080.21080.02080.07260.1710.01090.2618-23.5977-75.838446.3204
500.25840.0544-0.16970.0107-0.03820.112-0.02920.0375-0.01730.04960.1702-0.13990.11560.13880.20170.12450.074-0.40480.2602-0.20220.65028.1006-49.917743.6031
510.2464-0.03370.18310.1236-0.24190.9702-0.0867-0.09120.01050.05980.2053-0.47620.1095-0.05520.15790.06310.0207-0.00060.1501-0.05790.514613.0466-61.299337.885
520.00090.0007-0.00370.0084-0.010.0097-0.01670.12460.0422-0.11840.1768-0.121-0.0632-0.0126-00.26420.00490.16470.26650.00060.561410.5496-56.799327.9166
530.2155-0.08360.09020.1236-0.03160.08420.1543-0.0319-0.01070.05550.0741-0.2048-0.0440.0090.23670.1399-0.0131-0.03590.2338-0.09360.886315.2436-51.803736.5729
540.2393-0.11550.08420.1995-0.17190.36270.0836-0.1213-0.09590.03310.1708-0.33210.07360.05620.29480.15030.0253-0.13090.1952-0.04410.579510.2628-59.691239.2385
550.1861-0.0129-0.01320.0173-0.01830.06810.0330.056-0.09010.03990.0698-0.10940.02850.01440.13520.240.0674-0.18310.3486-0.15890.57776.0787-56.43544.2232
560.3171-0.11360.17660.0469-0.03940.1078-0.15570.02870.08510.30260.0966-0.16330.20010.0969-0.05810.41210.07720.14430.2810.02570.2616-21.9086-53.045750.3844
570.21840.14850.05440.1796-0.14760.2715-0.3236-0.0789-0.12620.1285-0.11830.12360.14420.0232-0.53170.6710.18380.45280.28370.13830.0904-24.1472-65.782459.4002
580.01-0.0123-0.00130.0256-0.00190.005-0.1711-0.05240.01080.28860.1943-0.0941-0.0024-0.01260.00010.43860.0856-0.03170.3132-0.01830.3331-15.8399-50.519555.2446
590.18850.00750.15810.01510.00760.12740.04080.1701-0.00910.15540.0317-0.0191-0.02670.05990.04790.68760.3782-0.16770.45930.0318-0.0099-16.1976-56.857864.0071
600.33880.06420.16910.15340.09440.1994-0.5583-0.0380.23930.76770.09770.0735-0.03980.1038-0.72130.67050.17720.27050.1933-0.14470.0169-19.1506-56.791857.3203
610.2067-0.14810.10080.12970.0020.4152-0.3699-0.1264-0.03270.3212-0.11740.08110.1036-0.0976-0.16790.69950.14740.26660.3893-0.1930.5593-25.89-50.130959.2482
620.0256-0.0150.01290.0074-0.00760.0040.00660.0122-0.02760.0089-0.0237-0.0162-0.0666-0.11170.00010.1930.0207-0.03220.3102-0.10770.2613-5.94-14.957335.7686
630.0011-0.0005-0.005200.00530.05440.02940.0456-0.01190.01350.0190.00330.0474-0.06460.00630.2396-0.0348-0.3440.30260.03630.86151.5487-17.9033-5.3176
640.0071-0.0007-0.00380.00240.00060.00130.00850.01320.0072-0.0511-0.0065-0.01950.00710.0620.00010.41140.08260.11650.4564-0.03281.199933.1843-76.369-5.3464
650.0292-0.01-0.0080.00530.00520.00350.00860.05890.0114-0.0520.0062-0.0210.04370.09020.00020.34730.06460.09280.4467-0.04930.907826.6232-73.216835.506
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 98 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 99 through 134 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 135 through 210 )A0
4X-RAY DIFFRACTION4chain 'B' and (resid 4 through 17 )B0
5X-RAY DIFFRACTION5chain 'B' and (resid 18 through 32 )B0
6X-RAY DIFFRACTION6chain 'B' and (resid 33 through 95B)B0
7X-RAY DIFFRACTION7chain 'B' and (resid 96 through 107 )B0
8X-RAY DIFFRACTION8chain 'B' and (resid 108 through 121 )B0
9X-RAY DIFFRACTION9chain 'B' and (resid 122 through 149 )B0
10X-RAY DIFFRACTION10chain 'B' and (resid 150 through 173 )B0
11X-RAY DIFFRACTION11chain 'B' and (resid 174 through 211 )B0
12X-RAY DIFFRACTION12chain 'C' and (resid 2 through 17 )C0
13X-RAY DIFFRACTION13chain 'C' and (resid 18 through 59 )C0
14X-RAY DIFFRACTION14chain 'C' and (resid 60 through 74 )C0
15X-RAY DIFFRACTION15chain 'C' and (resid 75 through 98 )C0
16X-RAY DIFFRACTION16chain 'C' and (resid 99 through 109 )C0
17X-RAY DIFFRACTION17chain 'C' and (resid 110 through 145 )C0
18X-RAY DIFFRACTION18chain 'C' and (resid 146 through 185 )C0
19X-RAY DIFFRACTION19chain 'C' and (resid 186 through 209 )C0
20X-RAY DIFFRACTION20chain 'D' and (resid 4 through 32 )D0
21X-RAY DIFFRACTION21chain 'D' and (resid 33 through 48 )D0
22X-RAY DIFFRACTION22chain 'D' and (resid 49 through 69 )D0
23X-RAY DIFFRACTION23chain 'D' and (resid 70 through 95B)D0
24X-RAY DIFFRACTION24chain 'D' and (resid 96 through 107 )D0
25X-RAY DIFFRACTION25chain 'D' and (resid 108 through 187 )D0
26X-RAY DIFFRACTION26chain 'D' and (resid 188 through 211 )D0
27X-RAY DIFFRACTION27chain 'E' and (resid 2 through 17 )E0
28X-RAY DIFFRACTION28chain 'E' and (resid 18 through 74 )E0
29X-RAY DIFFRACTION29chain 'E' and (resid 75 through 87 )E0
30X-RAY DIFFRACTION30chain 'E' and (resid 88 through 109 )E0
31X-RAY DIFFRACTION31chain 'E' and (resid 110 through 134 )E0
32X-RAY DIFFRACTION32chain 'E' and (resid 135 through 211 )E0
33X-RAY DIFFRACTION33chain 'F' and (resid 5 through 32 )F0
34X-RAY DIFFRACTION34chain 'F' and (resid 33 through 75 )F0
35X-RAY DIFFRACTION35chain 'F' and (resid 76 through 95B)F0
36X-RAY DIFFRACTION36chain 'F' and (resid 96 through 107 )F0
37X-RAY DIFFRACTION37chain 'F' and (resid 108 through 121 )F0
38X-RAY DIFFRACTION38chain 'F' and (resid 122 through 149 )F0
39X-RAY DIFFRACTION39chain 'F' and (resid 150 through 173 )F0
40X-RAY DIFFRACTION40chain 'F' and (resid 174 through 211 )F0
41X-RAY DIFFRACTION41chain 'H' and (resid 2 through 17 )H0
42X-RAY DIFFRACTION42chain 'H' and (resid 18 through 74 )H0
43X-RAY DIFFRACTION43chain 'H' and (resid 75 through 87 )H0
44X-RAY DIFFRACTION44chain 'H' and (resid 88 through 98 )H0
45X-RAY DIFFRACTION45chain 'H' and (resid 99 through 109 )H0
46X-RAY DIFFRACTION46chain 'H' and (resid 110 through 135 )H0
47X-RAY DIFFRACTION47chain 'H' and (resid 136 through 175 )H0
48X-RAY DIFFRACTION48chain 'H' and (resid 176 through 190 )H0
49X-RAY DIFFRACTION49chain 'H' and (resid 191 through 210 )H0
50X-RAY DIFFRACTION50chain 'L' and (resid 4 through 24 )L0
51X-RAY DIFFRACTION51chain 'L' and (resid 25 through 48 )L0
52X-RAY DIFFRACTION52chain 'L' and (resid 49 through 61 )L0
53X-RAY DIFFRACTION53chain 'L' and (resid 62 through 75 )L0
54X-RAY DIFFRACTION54chain 'L' and (resid 76 through 95B)L0
55X-RAY DIFFRACTION55chain 'L' and (resid 96 through 107 )L0
56X-RAY DIFFRACTION56chain 'L' and (resid 108 through 121 )L0
57X-RAY DIFFRACTION57chain 'L' and (resid 122 through 137 )L0
58X-RAY DIFFRACTION58chain 'L' and (resid 138 through 149 )L0
59X-RAY DIFFRACTION59chain 'L' and (resid 150 through 162 )L0
60X-RAY DIFFRACTION60chain 'L' and (resid 163 through 197 )L0
61X-RAY DIFFRACTION61chain 'L' and (resid 198 through 208 )L0
62X-RAY DIFFRACTION62chain 'P' and (resid 3 through 7 )P0
63X-RAY DIFFRACTION63chain 'Q' and (resid 3 through 7 )Q0
64X-RAY DIFFRACTION64chain 'M' and (resid 3 through 7 )M0
65X-RAY DIFFRACTION65chain 'N' and (resid 3 through 7 )N0

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