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- PDB-6b55: Crystal structure of the Plant Defensin NaD1 complexed with phosp... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6b55
TitleCrystal structure of the Plant Defensin NaD1 complexed with phosphatidic acid
ComponentsFlower-specific defensin
KeywordsANTIMICROBIAL PROTEIN / antimicrobial / antifungal / defensin / PLANT PROTEIN
Function / homology
Function and homology information


vacuole / defense response to fungus / killing of cells of another organism / extracellular region
Similarity search - Function
Defensin, plant / Gamma-thionins family signature. / Gamma-thionin family / Knottins / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE / TRIETHYLENE GLYCOL / PHOSPHATE ION / Flower-specific defensin
Similarity search - Component
Biological speciesNicotiana alata (Persian tobacco)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.5 Å
AuthorsJarva, M. / Phan, K. / Humble, C. / Lay, F.T. / Hulett, M. / Kvansakul, M.
Funding support Australia, 1items
OrganizationGrant numberCountry
Australian Research Council (ARC)FT130101349 Australia
CitationJournal: Nat Commun / Year: 2018
Title: X-ray structure of a carpet-like antimicrobial defensin-phospholipid membrane disruption complex.
Authors: Jarva, M. / Lay, F.T. / Phan, T.K. / Humble, C. / Poon, I.K.H. / Bleackley, M.R. / Anderson, M.A. / Hulett, M.D. / Kvansakul, M.
History
DepositionSep 28, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 23, 2018Provider: repository / Type: Initial release
Revision 1.1May 30, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2Aug 15, 2018Group: Data collection / Database references / Category: pdbx_related_exp_data_set / Item: _pdbx_related_exp_data_set.data_reference
Revision 1.3Feb 20, 2019Group: Author supporting evidence / Data collection / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Jan 1, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Oct 4, 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: Flower-specific defensin
B: Flower-specific defensin
C: Flower-specific defensin
D: Flower-specific defensin
E: Flower-specific defensin
F: Flower-specific defensin
G: Flower-specific defensin
H: Flower-specific defensin
I: Flower-specific defensin
J: Flower-specific defensin
K: Flower-specific defensin
L: Flower-specific defensin
M: Flower-specific defensin
N: Flower-specific defensin
O: Flower-specific defensin
P: Flower-specific defensin
Q: Flower-specific defensin
R: Flower-specific defensin
S: Flower-specific defensin
T: Flower-specific defensin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)115,00447
Polymers107,72920
Non-polymers7,27527
Water8,125451
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: assay for oligomerization, BS3 Crosslinking assay visualized lipid mediated oligomerization on SDS-PAGE
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)114.218, 154.925, 135.999
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Components on special symmetry positions
IDModelComponents
11G-215-

HOH

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Components

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Protein/peptide , 1 types, 20 molecules ABCDEFGHIJKLMNOPQRST

#1: Protein/peptide
Flower-specific defensin


Mass: 5386.455 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Nicotiana alata (Persian tobacco) / Production host: Komagataella pastoris (fungus) / References: UniProt: Q8GTM0

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Non-polymers , 5 types, 478 molecules

#2: Chemical
ChemComp-PA8 / 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE


Mass: 423.458 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C19H36O8P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: PO4
#4: Chemical
ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


Mass: 150.173 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C6H14O4
#5: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2H6O2
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 451 / 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: 2.79 Å3/Da / Density % sol: 55.95 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 5.89
Details: 28% PEG 4000, 1M sodium chloride, 0.1M trisodium-citrate-citric acid, pH 5.89

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: ADSC QUANTUM 210r / Detector: CCD / Date: Jul 20, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.5→47.06 Å / Num. obs: 41102 / % possible obs: 98.4 % / Redundancy: 2.9 % / Biso Wilson estimate: 33.58 Å2 / CC1/2: 0.992 / Rmerge(I) obs: 0.12 / Rpim(I) all: 0.082 / Rrim(I) all: 0.146 / Net I/σ(I): 7.6
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
2.5-2.62.90.7147170.630.4920.86899.8
9.01-47.0630.0288500.9990.0190.03490.3

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
Aimless0.5.32data reduction
PHASER2.7.16phasing
PHENIX1.12refinement
PDB_EXTRACTdata extraction
Coot0.8.8model building
XDS20161205data processing
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4AAZ

4aaz


Resolution: 2.5→44.469 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.4
RfactorNum. reflection% reflection
Rfree0.2519 2042 4.97 %
Rwork0.2031 --
obs0.2056 41062 97.72 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 108.8 Å2 / Biso mean: 43.3408 Å2 / Biso min: 12.32 Å2
Refinement stepCycle: final / Resolution: 2.5→44.469 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7380 0 475 451 8306
Biso mean--64.2 36.44 -
Num. residues----960
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0038028
X-RAY DIFFRACTIONf_angle_d0.71210714
X-RAY DIFFRACTIONf_chiral_restr0.0481154
X-RAY DIFFRACTIONf_plane_restr0.0061308
X-RAY DIFFRACTIONf_dihedral_angle_d13.0935436
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 15

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.5-2.55820.36441380.309526072745100
2.5582-2.62220.38621360.295526332769100
2.6222-2.6930.34011300.27662634276499
2.693-2.77230.34031460.26492619276599
2.7723-2.86170.28591290.25472611274099
2.8617-2.9640.30731310.24392615274699
2.964-3.08260.3171450.26262626277199
3.0826-3.22290.2951230.23282647277099
3.2229-3.39280.2581300.20982597272798
3.3928-3.60520.23831480.18582595274398
3.6052-3.88350.2521520.17252599275198
3.8835-4.2740.2061200.162581270197
4.274-4.89180.17441380.14062575271396
4.8918-6.16050.18441360.17362556269294
6.1605-44.4760.22391400.18372525266590
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)
10.12450.0483-0.09270.0423-0.10.12010.07730.0154-0.0005-0.4907-0.2798-0.06710.54520.2893-0.00030.4442-0.0323-0.04640.3882-0.0370.3211-4.6255126.0458-0.7788
20.0560.0624-0.06290.10740.14730.16580.0399-0.1257-0.2283-0.0701-0.0474-0.15920.18320.086-0.00020.1794-0.0078-0.02140.2606-0.01150.24830.7286116.09239.1198
30.27330.1974-0.23560.45370.33940.50460.0092-0.18990.74670.01190.03940.18160.00590.130800.26830.01810.01530.2620.00350.2757-0.5429121.60153.8653
40.0710.0629-0.19980.5013-0.10270.2571-0.2310.07980.26290.06140.0916-0.66790.09610.1398-0.00010.39980.01330.00460.30330.03740.5397-3.947138.8354-4.2715
51.00150.40170.15690.3491-0.02011.8756-0.1296-0.1480.6510.0270.1667-0.5209-0.1855-0.1211-0.00490.21980.0075-0.01410.16890.02260.5415-2.618136.5037-1.9847
60.44640.2671-0.13640.1782-0.0120.1194-0.0637-0.1625-0.0549-0.2526-0.1532-0.17280.16820.2912-0.00310.32760.11580.06140.3375-0.00790.33148.1255110.2236-11.3039
70.00120.05620.05550.13130.17720.26940.29440.0038-0.71280.29690.05530.14470.47490.09360.0090.32490.001-0.04630.31570.04840.347611.4579101.51310.4223
80.48960.11790.48310.08760.29091.28510.37740.1876-0.7240.06960.16280.0150.16680.65970.12340.35580.0480.05540.2892-0.01820.31888.9892102.688-6.2776
90.0318-0.0379-0.06650.15010.0090.1487-0.01620.23280.22660.1131-0.25870.1240.33920.4209-0.00990.24420.0453-0.00080.2174-0.03560.26412.1528109.4381-3.9605
101.8546-1.6393-1.73621.4411.52081.6176-0.52340.7527-0.47840.22810.19020.47920.3974-0.3239-0.51880.26070.04120.0210.43650.2140.25813.7046113.3461-8.908
110.51970.18580.06210.54740.62780.6309-0.46450.34920.6306-0.37510.3640.0106-0.6080.41610.00490.2650.0023-0.03730.33010.07710.29184.846126.1786-16.9032
120.1296-0.0288-0.02250.1458-0.08110.03860.0271-0.24390.1052-0.3763-0.2853-0.0447-0.29940.11640.00030.2875-0.0010.02130.37430.01440.22311.6272119.9811-14.9341
130.3478-0.2583-0.04150.20640.2690.55180.170.00180.2437-0.1965-0.34630.09780.2215-0.1904-0.05910.29150.0032-0.04460.31430.08510.25997.4511121.1138-9.9183
140.22330.4814-0.11181.2065-0.35190.0692-0.0426-0.4610.14420.0822-0.008-0.93080.23010.06790.06860.2711-0.12310.17660.39190.02820.345929.9077104.2298-12.3107
150.0691-0.098-0.12090.25440.03010.1847-0.1317-0.0112-0.09230.18350.0213-0.05470.26270.08050.00010.39450.07830.02370.32840.03670.412230.417494.8547-0.3653
160.2012-0.0812-0.08350.09280.24670.46880.1326-0.2601-0.3506-0.01670.3595-0.21680.30040.49420.01210.2730.0444-0.00130.30330.02290.374630.2442100.8129-5.2683
170.1861-0.20040.10483.348-0.06150.07570.03030.2304-0.0865-0.31970.93170.3469-0.5144-0.93410.31410.371-0.019-0.0280.48340.05270.272224.2233104.392-13.0468
181.10160.20170.69580.760.8331.00890.45970.1023-0.1448-0.1748-0.1307-0.1534-0.1721-0.03650.33030.28930.0346-0.00960.31560.04390.196822.773115.8368-19.3875
192.1893-0.59310.12861.37540.043.21150.324-0.1798-0.185-0.52140.2847-0.24880.18420.30041.03920.24890.0012-0.00660.35540.01640.214323.9854112.8264-11.9808
200.23610.04740.0540.0644-0.05180.0488-0.3325-0.37030.6575-0.22440.0925-0.33390.15670.59070.00010.40810.0164-0.04270.40450.05780.3663-2.557164.9966-21.1493
210.19380.1490.02860.3154-0.22250.11420.422-0.0188-0.3884-0.10820.0435-0.32020.2798-0.09850.00110.3377-0.0296-0.04980.27990.0520.3004-4.2555153.4063-16.3811
220.7042-0.26320.65390.3289-0.19280.8972-0.4943-0.03990.0993-0.06370.20630.0624-0.5782-0.2802-0.02710.3178-0.0046-0.01590.2318-0.06750.24490.8649159.809-16.1472
231.21810.40450.78280.1470.18860.8551-0.5496-0.1769-0.05160.5270.28750.6541-0.01910.106-0.19430.48850.17260.07790.2964-0.01260.3583-4.9974168.7309-17.0765
240.19290.0096-0.18180.06030.12860.2304-0.11590.03170.07380.11150.1176-0.006-0.0682-0.042700.2250.0155-0.05170.23-0.01160.1852.8424181.3429-20.3403
250.186-0.2694-0.25390.29990.29430.3323-0.251-0.03840.0713-0.04850.1660.1903-0.10830.1437-0.00250.29260.013-0.0060.31120.01660.24840.3621174.7606-17.5582
260.0518-0.00890.03290.1261-0.09030.0321-0.2556-0.3373-0.4842-0.0563-0.14960.0590.07230.11080.00080.32250.03170.01670.35270.05150.389513.25151.4789-30.1817
270.2621-0.15210.07990.18580.18450.2825-0.0075-0.0044-0.3027-0.3469-0.04840.48260.1729-0.0079-0.00020.213-0.0217-0.02840.1635-0.01230.22099.5106139.9362-25.0591
280.6243-0.0497-0.44390.22170.09970.2719-0.2812-0.14120.1273-0.2955-0.0036-0.2877-0.16670.1303-0.11460.39390.0493-0.08850.2301-0.01690.267612.6225147.137-22.7804
290.31820.8147-0.40042.3175-0.63221.37160.34430.04630.2710.1280.68290.7748-0.3524-0.22290.57330.35160.0737-0.0020.46750.03740.41088.6789155.1811-28.5869
300.04660.1501-0.12690.282-0.32740.32490.30840.2994-0.02060.4426-0.27730.2976-0.32080.09070.02610.22420.0387-0.0050.1678-0.028-0.407814.3047168.3453-29.5423
310.1905-0.13240.15730.19540.08770.21680.1223-0.1652-0.35090.0057-0.16920.11840.4660.1334-0.00040.40710.0127-0.05640.264-0.00210.352511.5979161.3622-27.628
320.08880.11040.21210.5404-0.07490.75430.5261-0.35090.2771-0.6299-0.3599-0.81920.49470.04380.15020.54730.11420.18230.63140.03950.555331.6693144.1601-27.9246
330.17630.0042-0.01820.0061-0.01170.03950.26710.137-0.2873-0.3001-0.28730.03270.28470.7651-0.01480.32590.0419-0.10630.2442-0.04790.200522.1875132.878-20.2654
340.0811-0.02330.03480.10880.02010.0222-0.20410.0461-0.1838-1.0058-0.2710.5730.0274-0-0.00070.42060.04270.00020.33880.05760.31929.1624130.3094-24.6403
350.1581-0.087-0.12030.0961-0.05370.1386-0.35060.21660.337-0.0596-0.22580.35960.34970.13490.00010.33880.0473-0.03140.2890.02060.314429.6578135.5585-27.3772
361.7010.85531.63810.55970.9391.6703-0.0863-0.11060.2357-0.3699-0.60450.1315-0.308-0.6884-0.59390.39460.13380.04060.29060.08150.313627.7413140.429-21.4694
370.25050.00750.26030.5986-0.51270.75110.4099-0.35560.0537-0.7523-0.1930.30360.57370.506-0.00680.49440.15340.0840.54660.15840.698826.8797146.8867-29.6752
380.6361-1.28250.78712.6479-1.61520.98030.1588-0.0732-0.17080.8227-0.6469-0.8421-0.63380.4119-0.2180.27880.0255-0.08830.48430.12240.613232.7264161.6734-24.0166
391.31951.76790.20123.87521.37862.8440.15710.11910.3033-0.1161-0.8268-0.408-0.20050.6981-0.67740.36440.11940.05910.29140.14630.366229.2591161.0215-32.0673
400.4506-0.26870.30450.38740.34321.2691-0.1965-0.094-0.018-0.0873-0.3625-0.60090.61870.0249-0.22430.40740.0880.06440.33570.07050.368328.2779154.236-27.3018
410.0295-0.015-0.09120.01970.10670.2438-0.6998-0.5190.46910.84960.3051-0.4371-0.0320.1156-0.00980.4854-0.0106-0.11370.4944-0.00260.547844.9255135.849-11.2253
420.5674-0.5455-0.35410.61460.39340.5129-0.15270.1618-0.49330.0861-0.11550.215-0.1709-0.1192-0.08610.1721-0.01310.03030.15320.05480.186937.1602123.0049-8.9869
430.2033-0.23640.24220.3412-0.40040.4658-0.0342-0.11660.4745-0.0294-0.1435-0.1662-0.07290.0277-0.00120.20510.0160.00190.26520.01660.35939.7581130.1169-8.9761
440.1589-0.1108-0.27030.16510.09090.43570.2481-0.1581-0.3339-0.40930.22170.15450.2468-0.22550.03550.4781-0.0159-0.24160.34510.09890.7543.001137.311-16.5017
450.5199-0.6541-0.56270.82890.71850.58540.52530.10940.8423-0.4636-0.0786-0.4131-0.29360.02380.15810.25970.0651-0.02030.27550.07090.69342.6776152.9617-11.8593
460.1450.022-0.0351-0.0095-0.02320.0358-0.4217-0.47510.2636-0.84620.5090.1959-0.3828-0.3639-0.00010.48820.03910.03250.3640.16690.606445.4179151.0657-19.758
470.2286-0.0937-0.22930.10920.47552.0046-0.10360.10710.4722-0.2096-0.1369-0.70.3156-0.3154-0.06930.28570.03520.07510.23830.01090.478642.0322144.6827-15.6435
480.26340.1846-0.08080.1769-0.10460.111-0.39920.19880.20940.4092-0.1745-0.571-0.07990.5533-0.00650.4451-0.0182-0.09650.58420.09640.421315.8071196.9564-30.8593
490.28150.0816-0.16860.04970.04160.14360.11850.14660.1627-0.02390.1120.2275-0.04840.04120.0020.2794-0.0428-0.04390.38420.03330.211817.2821184.1641-32.7049
500.07660.1343-0.02250.2443-0.04420.0055-0.2568-0.07140.2623-0.22550.4407-0.43620.4397-0.55770.0971-0.1469-0.2145-0.11610.3320.03650.391915.8583185.874-20.2349
510.02380.02840.00780.07940.12390.14260.13470.12630.43620.0213-0.25360.0495-0.26580.10550.00050.5060.0520.01340.44860.08470.407516.2885193.4096-33.3994
520.0705-0.0736-0.0180.08660.08480.0177-0.3365-0.3192-0.37410.2620.1012-0.08090.11640.0169-00.525-0.0342-0.08990.43020.02530.469810.1516197.6052-30.4536
530.32020.3097-0.4631.96550.64691.6267-0.66410.23851.08180.8416-0.03240.1698-0.4997-0.258-0.32440.47650.1228-0.21440.45920.10350.60619.4697210.4497-22.9967
540.6660.13660.04850.23150.03450.0092-0.02130.05750.7733-0.0549-0.03260.6322-0.4135-0.3878-0.02090.4110.0562-0.12560.38730.12670.42019.4358202.9023-24.7453
552.01-0.82381.73180.3757-0.73151.5517-0.13680.39210.01450.7291-0.2279-0.6071-0.7365-0.4838-0.21730.4980.01490.01310.42760.02720.373836.3388190.2981-23.727
560.3211-0.1166-0.16150.13770.05250.8313-0.49020.3517-0.38610.3959-0.2802-0.33630.15340.4996-0.0570.3610.03580.00880.557-0.13140.294731.0017174.6814-26.5888
57-0.0005-0.0054-0.02750.0994-0.02510.0672-0.52640.2238-0.0490.02850.5070.110.28990.4358-0.0030.3887-0.01720.11370.5205-0.03120.369739.375176.3907-27.1812
580.0947-0.0716-0.04330.14970.14730.11230.1443-0.52970.13760.4126-0.0701-0.17390.80890.8008-00.35-0.05080.03570.3895-0.0080.326738.5213182.198-27.1533
590.0982-0.0133-0.0740.04760.00830.0569-0.5423-0.27340.35370.22470.44350.04780.5712-0.00410.00010.43540.01750.02040.3297-0.06670.2927.5606178.6964-17.9492
600.3628-0.0225-0.01580.03630.01720.0341-0.2620.68470.38240.17050.3034-0.10440.36820.09470.00020.3842-0.0221-0.00280.48490.05460.284437.6891186.7327-26.0362
610.64510.7596-0.50981.0572-0.36980.75480.1426-0.23010.448-0.2855-0.6050.5774-0.68720.012-0.03470.30980.0303-0.03140.54770.1980.342731.886192.4916-27.1313
621.19840.0442-0.3662-0.0006-0.05150.24370.14920.16721.4326-0.326-0.01860.0477-0.5536-0.01010.04510.4398-0.0386-0.08980.32680.14910.350529.176203.6216-20.9199
631.35340.10590.9030.575-0.00750.628-0.2324-0.59130.3415-0.0242-0.5123-0.2430.16420.121-1.31750.2335-0.00380.01030.15570.2917-0.108527.7162195.8469-20.4238
643.27840.09610.1782-0.01320.0306-0.0064-0.25370.1456-1.01660.94980.48530.34790.06780.25640.04250.71490.12010.05020.22780.03820.335644.68178.0422-7.1592
650.09420.12150.10090.10530.0730.051-0.05660.179-0.99060.10750.01830.2282-0.0887-0.1744-0.00030.6190.0510.08510.47150.00280.660540.5279164.4831-14.8828
660.0816-0.04510.050.0420.03310.13040.0169-0.0967-0.48620.24820.2378-0.0675-0.1555-0.32070.00010.40080.09670.03250.3434-0.00750.534247.4797166.9805-9.6881
670.2087-0.19890.03790.1671-0.06860.3296-0.7254-0.23420.21020.37830.63020.1369-0.0369-0.0090.00610.47110.08610.01740.33440.12910.668140.115171.8671-9.4404
680.21760.11490.16680.0130.10420.11130.46010.3445-0.4116-0.0432-0.0602-0.19270.7201-0.3942-0.00030.40120.0171-0.03760.4513-0.07110.333844.3703181.5231-12.0858
690.25970.17090.05480.11110.0235-0.0070.10290.2350.6830.2464-0.21690.2028-0.18540.2794-0.00480.2905-0.01870.06820.30470.01760.233636.3735192.649-3.1156
700.21480.3493-0.17670.8272-0.18430.3560.52060.02870.44840.7853-0.17420.3864-0.13580.05470.02590.26960.0702-0.00050.27920.03220.281642.088195.4038-8.8704
710.44840.445-0.17990.5687-0.34580.38340.01060.43370.842-0.33360.01860.3390.1846-0.09520.06140.2041-0.00130.02630.2065-0.04430.311544.212190.0714-9.5207
723.8271-0.006-0.8280.07570.08850.30230.0242-0.64870.005-0.3864-0.13960.10530.40940.322-0.07260.3390.011-0.0030.21780.01180.302537.9034185.5173-8.9304
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 6 )A0 - 6
2X-RAY DIFFRACTION2chain 'A' and (resid 7 through 26 )A7 - 26
3X-RAY DIFFRACTION3chain 'A' and (resid 27 through 47 )A27 - 47
4X-RAY DIFFRACTION4chain 'B' and (resid 0 through 26 )B0 - 26
5X-RAY DIFFRACTION5chain 'B' and (resid 27 through 47 )B27 - 47
6X-RAY DIFFRACTION6chain 'C' and (resid 0 through 6 )C0 - 6
7X-RAY DIFFRACTION7chain 'C' and (resid 7 through 26 )C7 - 26
8X-RAY DIFFRACTION8chain 'C' and (resid 27 through 34 )C27 - 34
9X-RAY DIFFRACTION9chain 'C' and (resid 35 through 47 )C35 - 47
10X-RAY DIFFRACTION10chain 'D' and (resid 0 through 6 )D0 - 6
11X-RAY DIFFRACTION11chain 'D' and (resid 7 through 26 )D7 - 26
12X-RAY DIFFRACTION12chain 'D' and (resid 27 through 34 )D27 - 34
13X-RAY DIFFRACTION13chain 'D' and (resid 35 through 47 )D35 - 47
14X-RAY DIFFRACTION14chain 'E' and (resid 0 through 6 )E0 - 6
15X-RAY DIFFRACTION15chain 'E' and (resid 7 through 26 )E7 - 26
16X-RAY DIFFRACTION16chain 'E' and (resid 27 through 47 )E27 - 47
17X-RAY DIFFRACTION17chain 'F' and (resid 0 through 6 )F0 - 6
18X-RAY DIFFRACTION18chain 'F' and (resid 7 through 34 )F7 - 34
19X-RAY DIFFRACTION19chain 'F' and (resid 35 through 47 )F35 - 47
20X-RAY DIFFRACTION20chain 'G' and (resid 0 through 6 )G0 - 6
21X-RAY DIFFRACTION21chain 'G' and (resid 7 through 34 )G7 - 34
22X-RAY DIFFRACTION22chain 'G' and (resid 35 through 47 )G35 - 47
23X-RAY DIFFRACTION23chain 'H' and (resid 0 through 6 )H0 - 6
24X-RAY DIFFRACTION24chain 'H' and (resid 7 through 26 )H7 - 26
25X-RAY DIFFRACTION25chain 'H' and (resid 27 through 47 )H27 - 47
26X-RAY DIFFRACTION26chain 'I' and (resid 0 through 6 )I0 - 6
27X-RAY DIFFRACTION27chain 'I' and (resid 7 through 34 )I7 - 34
28X-RAY DIFFRACTION28chain 'I' and (resid 35 through 47 )I35 - 47
29X-RAY DIFFRACTION29chain 'J' and (resid 0 through 6 )J0 - 6
30X-RAY DIFFRACTION30chain 'J' and (resid 7 through 26 )J7 - 26
31X-RAY DIFFRACTION31chain 'J' and (resid 27 through 47 )J27 - 47
32X-RAY DIFFRACTION32chain 'K' and (resid 0 through 6 )K0 - 6
33X-RAY DIFFRACTION33chain 'K' and (resid 7 through 16 )K7 - 16
34X-RAY DIFFRACTION34chain 'K' and (resid 17 through 26 )K17 - 26
35X-RAY DIFFRACTION35chain 'K' and (resid 27 through 34 )K27 - 34
36X-RAY DIFFRACTION36chain 'K' and (resid 35 through 47 )K35 - 47
37X-RAY DIFFRACTION37chain 'L' and (resid 0 through 6 )L0 - 6
38X-RAY DIFFRACTION38chain 'L' and (resid 7 through 16 )L7 - 16
39X-RAY DIFFRACTION39chain 'L' and (resid 17 through 26 )L17 - 26
40X-RAY DIFFRACTION40chain 'L' and (resid 27 through 47 )L27 - 47
41X-RAY DIFFRACTION41chain 'M' and (resid 0 through 6 )M0 - 6
42X-RAY DIFFRACTION42chain 'M' and (resid 7 through 26 )M7 - 26
43X-RAY DIFFRACTION43chain 'M' and (resid 27 through 47 )M27 - 47
44X-RAY DIFFRACTION44chain 'N' and (resid 0 through 6 )N0 - 6
45X-RAY DIFFRACTION45chain 'N' and (resid 7 through 16 )N7 - 16
46X-RAY DIFFRACTION46chain 'N' and (resid 17 through 26 )N17 - 26
47X-RAY DIFFRACTION47chain 'N' and (resid 27 through 47 )N27 - 47
48X-RAY DIFFRACTION48chain 'O' and (resid 0 through 6 )O0 - 6
49X-RAY DIFFRACTION49chain 'O' and (resid 7 through 34 )O7 - 34
50X-RAY DIFFRACTION50chain 'O' and (resid 35 through 40 )O35 - 40
51X-RAY DIFFRACTION51chain 'O' and (resid 41 through 47 )O41 - 47
52X-RAY DIFFRACTION52chain 'P' and (resid 0 through 6 )P0 - 6
53X-RAY DIFFRACTION53chain 'P' and (resid 7 through 27 )P7 - 27
54X-RAY DIFFRACTION54chain 'P' and (resid 28 through 47 )P28 - 47
55X-RAY DIFFRACTION55chain 'Q' and (resid 0 through 6 )Q0 - 6
56X-RAY DIFFRACTION56chain 'Q' and (resid 7 through 16 )Q7 - 16
57X-RAY DIFFRACTION57chain 'Q' and (resid 17 through 26 )Q17 - 26
58X-RAY DIFFRACTION58chain 'Q' and (resid 27 through 34 )Q27 - 34
59X-RAY DIFFRACTION59chain 'Q' and (resid 35 through 40 )Q35 - 40
60X-RAY DIFFRACTION60chain 'Q' and (resid 41 through 47 )Q41 - 47
61X-RAY DIFFRACTION61chain 'R' and (resid 0 through 6 )R0 - 6
62X-RAY DIFFRACTION62chain 'R' and (resid 7 through 34 )R7 - 34
63X-RAY DIFFRACTION63chain 'R' and (resid 35 through 47 )R35 - 47
64X-RAY DIFFRACTION64chain 'S' and (resid 0 through 6 )S0 - 6
65X-RAY DIFFRACTION65chain 'S' and (resid 7 through 16 )S7 - 16
66X-RAY DIFFRACTION66chain 'S' and (resid 17 through 34 )S17 - 34
67X-RAY DIFFRACTION67chain 'S' and (resid 35 through 47 )S35 - 47
68X-RAY DIFFRACTION68chain 'T' and (resid 0 through 6 )T0 - 6
69X-RAY DIFFRACTION69chain 'T' and (resid 7 through 16 )T7 - 16
70X-RAY DIFFRACTION70chain 'T' and (resid 17 through 26 )T17 - 26
71X-RAY DIFFRACTION71chain 'T' and (resid 27 through 34 )T27 - 34
72X-RAY DIFFRACTION72chain 'T' and (resid 35 through 47 )T35 - 47

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