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- PDB-5mp2: XcpQN012 in complex with VHH04 -

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Basic information

Entry
Database: PDB / ID: 5mp2
TitleXcpQN012 in complex with VHH04
Components
  • Camelid nanobody VHH04
  • Type II secretion system protein D
KeywordsTRANSPORT PROTEIN / T2SS / secretin / camedlid nanobody
Function / homology
Function and homology information


protein secretion by the type II secretion system / type II protein secretion system complex / protein secretion / cell outer membrane / identical protein binding
Similarity search - Function
Ribosomal Protein S8; Chain: A, domain 1 - #120 / Type II secretion system protein GspD / : / GspD-like, N0 domain / GspD/PilQ family / Bacterial type II secretion system protein D signature. / Type II secretion system protein GspD, conserved site / : / NolW-like / NolW-like superfamily ...Ribosomal Protein S8; Chain: A, domain 1 - #120 / Type II secretion system protein GspD / : / GspD-like, N0 domain / GspD/PilQ family / Bacterial type II secretion system protein D signature. / Type II secretion system protein GspD, conserved site / : / NolW-like / NolW-like superfamily / Bacterial type II/III secretion system short domain / Type II/III secretion system / Bacterial type II and III secretion system protein / Ribosomal Protein S8; Chain: A, domain 1 / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Type II secretion system protein D / Secretin XcpQ
Similarity search - Component
Biological speciesPseudomonas aeruginosa (bacteria)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å
AuthorsTrinh, T.T.N. / Roussel, A. / Douzi, B. / Voulhoux, R.
CitationJournal: mBio / Year: 2017
Title: Unraveling the Self-Assembly of the XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics.
Authors: Badreddine Douzi / Nhung T T Trinh / Sandra Michel-Souzy / Aline Desmyter / Geneviève Ball / Pascale Barbier / Artemis Kosta / Eric Durand / Katrina T Forest / Christian Cambillau / Alain ...Authors: Badreddine Douzi / Nhung T T Trinh / Sandra Michel-Souzy / Aline Desmyter / Geneviève Ball / Pascale Barbier / Artemis Kosta / Eric Durand / Katrina T Forest / Christian Cambillau / Alain Roussel / Romé Voulhoux /
Abstract: The type II secretion system (T2SS) releases large folded exoproteins across the envelope of many Gram-negative pathogens. This secretion process therefore requires specific gating, interacting, and ...The type II secretion system (T2SS) releases large folded exoproteins across the envelope of many Gram-negative pathogens. This secretion process therefore requires specific gating, interacting, and dynamics properties mainly operated by a bipartite outer membrane channel called secretin. We have a good understanding of the structure-function relationship of the pore-forming C-terminal domain of secretins. In contrast, the high flexibility of their periplasmic N-terminal domain has been an obstacle in obtaining the detailed structural information required to uncover its molecular function. In , the Xcp T2SS plays an important role in bacterial virulence by its capacity to deliver a large panel of toxins and degradative enzymes into the surrounding environment. Here, we revealed that the N-terminal domain of XcpQ secretin spontaneously self-assembled into a hexamer of dimers independently of its C-terminal domain. Furthermore, and by using multidisciplinary approaches, we elucidate the structural organization of the XcpQ N domain and demonstrate that secretin flexibility at interdimer interfaces is mandatory for its function. Bacterial secretins are large homooligomeric proteins constituting the outer membrane pore-forming element of several envelope-embedded nanomachines essential in bacterial survival and pathogenicity. They comprise a well-defined membrane-embedded C-terminal domain and a modular periplasmic N-terminal domain involved in substrate recruitment and connection with inner membrane components. We are studying the XcpQ secretin of the T2SS present in the pathogenic bacterium Our data highlight the ability of the XcpQ N-terminal domain to spontaneously oligomerize into a hexamer of dimers. Further experiments revealed that this domain adopts different conformations essential for the T2SS secretion process. These findings provide new insights into the functional understanding of bacterial T2SS secretins.
History
DepositionDec 15, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 13, 2017Provider: repository / Type: Initial release
Revision 1.1Jan 17, 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
Revision 1.2Oct 16, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Type II secretion system protein D
B: Type II secretion system protein D
C: Camelid nanobody VHH04
D: Camelid nanobody VHH04


Theoretical massNumber of molelcules
Total (without water)85,1104
Polymers85,1104
Non-polymers00
Water2,234124
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3970 Å2
ΔGint-7 kcal/mol
Surface area29900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)40.060, 63.790, 76.050
Angle α, β, γ (deg.)104.37, 100.61, 108.04
Int Tables number1
Space group name H-MP1

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Components

#1: Protein Type II secretion system protein D


Mass: 25834.098 Da / Num. of mol.: 2
Fragment: N-terminal domains 0, 1 and 2, UNP residues 79-318
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Gene: xcpQ1, PAMH19_1963 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0A8RG33, UniProt: P35818*PLUS
#2: Antibody Camelid nanobody VHH04


Mass: 16720.801 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 124 / Source method: isolated from a natural source / Formula: H2O
Has protein modificationY

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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 % sol: 39.02 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1M BIS-TRIS pH=5.5 25% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 2 / Wavelength: 0.9801 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Sep 16, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9801 Å / Relative weight: 1
ReflectionResolution: 2.9→38.75 Å / Num. obs: 14042 / % possible obs: 95.2 % / Redundancy: 2 % / Biso Wilson estimate: 77.63 Å2 / CC1/2: 0.989 / Rmerge(I) obs: 0.099 / Net I/σ(I): 6.2
Reflection shellResolution: 2.9→3.06 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.531 / Mean I/σ(I) obs: 1.4 / CC1/2: 0.444 / % possible all: 97.2

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Processing

Software
NameVersionClassification
BUSTER2.10.2refinement
XDSdata reduction
SCALAdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4E9J, 5M2W

4e9j

5m2w


Resolution: 2.9→38.75 Å / Cor.coef. Fo:Fc: 0.874 / Cor.coef. Fo:Fc free: 0.858 / Rfactor Rfree error: 0.01 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.434
RfactorNum. reflection% reflectionSelection details
Rfree0.256 647 4.61 %RANDOM
Rwork0.213 ---
obs0.215 14039 95.2 %-
Displacement parametersBiso mean: 73.16 Å2
Baniso -1Baniso -2Baniso -3
1--23.9418 Å216.5254 Å2-13.4223 Å2
2---4.2439 Å25.9627 Å2
3---28.1857 Å2
Refine analyzeLuzzati coordinate error obs: 0.42 Å
Refinement stepCycle: 1 / Resolution: 2.9→38.75 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4904 0 0 124 5028
Refine LS restraints
Refine-IDTypeDev idealNumberRestraint functionWeight
X-RAY DIFFRACTIONt_bond_d0.0124996HARMONIC2
X-RAY DIFFRACTIONt_angle_deg1.26826HARMONIC2
X-RAY DIFFRACTIONt_dihedral_angle_d1597SINUSOIDAL2
X-RAY DIFFRACTIONt_incorr_chiral_ct
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_trig_c_planes106HARMONIC2
X-RAY DIFFRACTIONt_gen_planes753HARMONIC5
X-RAY DIFFRACTIONt_it4996HARMONIC20
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_omega_torsion2.57
X-RAY DIFFRACTIONt_other_torsion17.2
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_chiral_improper_torsion700SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact5706SEMIHARMONIC4
LS refinement shellResolution: 2.9→3.13 Å / Rfactor Rfree error: 0 / Total num. of bins used: 7
RfactorNum. reflection% reflection
Rfree0.374 145 4.96 %
Rwork0.272 2778 -
all0.277 2923 -
obs--96.98 %
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)
10.0555-0.37790.2601-0.34750.38880.5641-0.0084-0.00380.02230.00080.01110.1140.0026-0.0398-0.00270.1454-0.08070.0434-0.0171-0.0269-0.0832-8.5768-12.463817.2413
20.62221.5844-1.98530.90720.5732-0.7406-0.00930.0699-0.069-0.004-0.0133-0.07010.0950.09710.0226-0.02930.0315-0.0424-0.0330.05930.04849.3837-10.34129.7413
30.2645-0.3225-0.05840.3881-0.2884-0.00940.0032-0.0107-0.06320.04050.0097-0.00280.0565-0.0015-0.01280.05230.0481-0.0026-0.14090.12940.08825.5249-18.63348.3779
4-0.2086-1.58732.91860.52030.04613.027-0.0223-0.012-0.10110.06590.0184-0.21830.130.05860.00390.1412-0.0390.0584-0.21520.02880.0225.9774-17.98783.3809
5-0.48851.11-0.71710.41140.78190.0962-0.0365-0.0271-0.0080.03360.032-0.00270.0677-0.04170.00460.0597-0.03320.0125-0.00830.0532-0.0018-4.2613-6.886212.6613
6-0.72821.24190.54190.56811.33720.92950.02080.03170.0287-0.095-0.0613-0.03080.02950.010.04050.0791-0.0273-0.016-0.12130.1198-0.031-1.114-12.04332.4575
70.03870.1529-0.2634-0.09670.36751.28040.03530.0194-0.126-0.043-0.03140.07790.0428-0.045-0.00390.1545-0.08790.0705-0.0445-0.0678-0.0511.0699-21.1094-3.7791
80.8306-0.76610.0191-0.2071-0.21981.4089-0.02530.07230.0668-0.0127-0.0056-0.0322-0.0290.05020.03090.05820.01360.032-0.08950.03810.01495.827-18.7523-7.0315
9-0.03980.7627-0.12031.20790.3381-0.04510.02120.0226-0.0432-0.0703-0.0262-0.04980.09150.11040.005-0.0555-0.00240.0626-0.02990.0368-0.01068.476-3.12152.9248
100.2030.3233-0.04280.8992-0.06380.4331-0.0104-0.0081-0.00030.0064-0.0003-0.00120.0279-0.03430.0106-0.13790.14520.0120.13470.0390.0576-6.8984.96289.8692
110.6484-0.68550.83811.5420.30250.7313-0.02130.0729-0.0073-0.04170.0095-0.07060.03780.02550.0118-0.14220.14680.04390.09760.03220.1073-6.04185.5435-1.8825
121.0775-1.60621.74483.7051-1.2603-0.29190.03940.0261-0.04-0.1086-0.0568-0.06630.0824-0.04960.0174-0.14560.04280.080.0128-0.00650.0643-0.8937-1.86550.4158
130.44331.1207-0.13821.3493-0.8828-0.94860.0018-0.0350.07560.0262-0.01-0.0425-0.0425-0.00070.0082-0.19670.06440.0059-0.09310.02390.2584.28197.54483.7849
140.7985-0.1433-0.577-0.6720.56730.45720.004-0.02380.00610.0434-0.0050.0067-0.0258-0.01710.001-0.10830.0602-0.06650.2201-0.05910.0302-9.315412.88843.9349
151.5391-0.73791.55262.4345-2.654-1.43950.036-0.07010.063-0.0249-0.08680.0096-0.0081-0.10470.0508-0.21110.25010.00360.26910.0261-0.0953-5.502815.4984-13.5248
161.78910.3659-0.31640.9144-1.5377-0.3393-0.00540.05960.04510.03550.0115-0.0422-0.10630.0425-0.0061-0.11670.03260.06740.06970.0409-0.03264.17922.2226-9.6514
170.2083-0.17680.05760.0684-0.00580.02670.005-0.0134-0.00160.0107-0.0010.0413-0.001-0.0181-0.0040.08330.0414-0.00750.086-0.0240.0758-6.123829.63093.6336
181.54361.01962.6642.106-1.1944.27610.00950.02160.05360.0255-0.03720.0026-0.0738-0.04610.0277-0.24250.2338-0.08230.16790.0271-0.0163-3.010915.6304-7.4885
190.1180.5271-0.68570.8553-0.3063-0.6624-0.00840.00480.05040.0027-0.0005-0.0002-0.0410.00340.0090.05540.1909-0.04210.0252-0.02560.0172-8.693324.6368-8.8311
200.0430.01150.01890.1583-0.212-0.1611-0.0042-0.01110.02290.0149-0.0010.019-0.01910.00890.00520.1030.0777-0.0263-0.0904-0.004-0.05-0.213525.2159-17.4367
210.3579-0.5107-0.1151-0.36920.38580.9711-0.0131-0.01380.03480.0217-0.0027-0.03350.00750.01050.01580.0379-0.02560.10490.05130.0536-0.09972.6515-12.4101-36.0391
22-0.1267-0.01210.26510.2079-0.26570.0162-0.02-0.0022-0.01450.01350.02880.02310.0313-0.0098-0.0088-0.0086-0.06010.14380.1129-0.0752-0.1396-12.0372-19.0365-30.2502
23-1.01510.64280.73940.9624-0.35221.09880.0087-0.001-0.04850.0106-0.0531-0.02870.03030.0490.04450.2025-0.0680.2186-0.011-0.1184-0.2204-2.3463-23.4103-27.8642
24-0.0212-0.3855-0.12360.25591.50221.01210.0052-0.0222-0.04070.0327-0.04080.00640.0619-0.01890.03550.12990.00140.1177-0.0644-0.0141-0.029-1.0334-27.8563-19.3607
250.8455-0.3078-0.6714-0.46141.01550.7949-0.0063-0.0404-0.00450.0442-0.0015-0.03170.0408-0.05550.00780.0834-0.15520.10880.0056-0.1028-0.1327-11.7627-15.425-28.3252
26-0.02370.86350.45711.86040.93611.14210.0012-0.0304-0.0199-0.00690.0257-0.00610.02790.0072-0.02690.0723-0.0418-0.02250.0273-0.0521-0.04011.7406-11.404-28.3441
27-0.46080.621-0.20040.33390.60750.2335-0.047-0.03410.02780.0612-0.01780.02850.04260.05960.06480.1971-0.02150.0115-0.1246-0.0634-0.2565-5.0265-17.6814-18.1998
28-0.530.33511.51191.31170.11271.6669-0.005-0.0243-0.01370.0278-0.0189-0.05160.02080.05130.02390.07180.0156-0.02340.00070.01770.00523.3353-24.3191-13.982
29-0.33830.4187-0.01810.32950.07950.3198-0.004-0.0066-0.01990.00980.02130.00230.0209-0.0053-0.01720.0311-0.07910.07590.1121-0.0202-0.0068-15.8272-16.8856-18.2389
300.4689-0.0201-0.66930.1591.05760.48460.00050.02050.013-0.0201-0.0163-0.03120.01840.01250.0159-0.0850.00980.0885-0.0746-0.01470.0034-8.398-4.7633-28.5645
31-0.06971.1068-0.2421.03212.5641.8413-0.05410.01520.05730.02390.0133-0.03130.02950.12270.0408-0.12610.0268-0.01250.2031-0.1219-0.028-8.48262.1978-19.4165
320.7869-1.69871.4693.73480.4741.76020.0158-0.0371-0.01140.0366-0.0026-0.01870.0175-0.0464-0.01320.0248-0.12150.03250.0394-0.1001-0.0153-7.38-6.5221-21.1354
330.6557-0.4071.28320.0158-0.37660.27650.01720.01460.0139-0.02890.01030.0265-0.0196-0.0227-0.0274-0.0875-0.0134-0.14690.0924-0.0152-0.0203-16.9545-2.4126-25.0623
340.440.28541.6122-0.21741.18131.4249-0.00510.03490.0343-0.1268-0.00480.0482-0.02750.02650.01-0.27590.1896-0.04580.32490.0904-0.0833-10.732611.474-19.5631
350.57540.8616-1.3571.5455-2.35190.194-0.0201-0.02660.0157-0.0001-0.0139-0.0250.02930.03360.034-0.10240.07720.20370.26660.3052-0.0003-24.23656.479-6.5557
360.7573-0.2367-0.4664-0.1602-0.2673-0.0729-0.00760.0211-0.0125-0.00730.0051-0.03590.01250.00810.0025-0.31370.1497-0.07640.10640.128-0.058-27.666610.9377-19.0399
370.5983-0.6421-0.18361.158-0.34530.5163-0.00310.0294-0.0043-0.0144-0.0156-0.00520.0245-0.0450.0187-0.03460.0757-0.05280.10940.09240.2448-29.335717.0881-21.9137
383.8193-2.1047-2.51080.12420.2182-0.2133-0.0354-0.13130.05540.11680.02580.06260.0693-0.01680.0096-0.020.13650.04260.13880.24080.0298-17.78655.9711-13.2015
391.6154-1.4809-0.52360.0493-0.26530.0173-0.10340.06740.11250.02190.04270.0752-0.05160.12840.0608-0.26890.176-0.14640.04680.29920.0902-17.429615.4529-15.1287
400.3664-0.3102-0.2393-0.41860.08350.123-0.0163-0.0050.00460.01610.02590.0074-0.00230.0105-0.0095-0.140.0062-0.00870.0070.11180.174-26.040114.9096-5.6588
410.0572-1.14531.0717-0.75360.11180.83040.0044-0.0011-0.02450.0188-0.0162-0.00660.02060.04940.01180.22950.0307-0.15290.0019-0.0406-0.2487.3254-4.645237.203
42-0.53581.12710.80342.3271.58694.32260.0112-0.1775-0.07020.243-0.0462-0.10130.13960.1680.0350.4549-0.1246-0.1204-0.28730.0094-0.18682.9316-1.676531.7939
43-0.3085-0.74552.63361.0603-0.91981.1911-0.0029-0.1091-0.08410.1852-0.01880.14310.0843-0.09240.02170.2573-0.09270.0135-0.05350.0225-0.0587-3.726-7.871429.3816
44-1.07330.65541.01774.01920.69432.7270.0146-0.07520.0140.0263-0.05390.00560.0302-0.12730.03930.1371-0.0917-0.076-0.1484-0.0756-0.0146-1.1491-0.979920.7976
45-0.57820.28380.76421.4164-0.48750.629-0.0406-0.0214-0.02350.12080.03060.0880.02660.03390.00990.1124-0.103-0.0206-0.1206-0.056-0.0986-1.5744.059826.2221
46-1.08170.23532.56343.2009-0.93064.6189-0.0346-0.0301-0.05970.1295-0.04550.11190.12290.05670.080.2039-0.1469-0.0091-0.11330.0746-0.1142-0.9773.719331.5705
470.68290.69310.49190.4997-0.01041.08640.0351-0.0188-0.0870.1236-0.05530.12340.01480.13570.02030.3162-0.0437-0.0605-0.20690.0885-0.2114-0.1173-7.674430.8779
48-0.12090.3434-0.29271.1352-0.08850.5275-0.008-0.0249-0.02010.04530.0041-0.04340.0266-0.00890.00380.2486-0.03480.0867-0.0290.0539-0.1145-1.4912-12.188122.1264
49-1.48561.24921.14522.9528-1.75170.6127-0.0029-0.04430.01560.02270.0064-0.01820.00830.0233-0.00360.27270.066-0.0279-0.00280.006-0.12424.3988-12.430.3414
500.4485-0.4143-0.00090.0134-0.7449-0.2973-0.0107-0.01740.01430.0071-0.01180.03550.00260.02980.02250.2164-0.28480.1676-0.14920.0465-0.19-8.42760.32141.1312
512.7943-1.4530.2887-0.53221.19242.7353-0.0169-0.00320.0437-0.005-0.00330.02450.00870.00870.02020.1615-0.1383-0.0314-0.0639-0.1395-0.0465-9.6934-13.4572-58.4708
521.0032-1.81612.09140.1551.09593.64440.00840.01430.01410.0022-0.04030.0437-0.0613-0.13230.03190.0309-0.0136-0.1524-0.11220.03510.0263-11.1773-7.675-55.4236
53-0.42730.81970.30871.42170.3580.99150.04160.0157-0.0436-0.0574-0.07250.09990.0352-0.10320.03090.0633-0.0676-0.1191-0.16110.0028-0.0527-7.3301-15.4286-47.1404
54-0.11841.26610.45461.73551.80091.0487-0.02060.10730.0745-0.0062-0.0763-0.1024-0.00370.18390.0969-0.0827-0.06690.11930.04640.13110.1107-0.2148-11.3894-48.9945
55-0.0754-0.95840.00152.18291.40854.09150.01140.0735-0.0089-0.0191-0.04-0.0062-0.084-0.02840.02850.0593-0.1544-0.0523-0.078-0.02350.0263-8.1893-8.273-40.9637
561.5786-2.11140.84391.3407-1.95590.63830.04720.01660.0199-0.0457-0.0030.0117-0.1114-0.1197-0.04430.0191-0.04780.0035-0.1168-0.08630.0763-11.9364-6.0331-49.0811
57-0.2760.35010.12571.21120.77471.37290.0013-0.03180.01420.0328-0.0091-0.03-0.0218-0.01850.00780.1151-0.14290.0814-0.1789-0.02440.1121-0.52342.0434-54.4071
580.5782-0.56251.10663.22511.21390.9468-0.0319-0.00540.06160.07760.0515-0.03690.0326-0.0664-0.01970.1076-0.18510.0184-0.1929-0.0243-0.0381-3.5456-14.5699-49.5101
59-0.4261-0.19510.71720.5412-0.09461.2703-0.01510.03040.0428-0.02390.019-0.02210.0773-0.0026-0.00390.0512-0.13630.1189-0.0345-0.03590.0255-0.7488-17.5902-43.0412
600.7993-0.34160.4477-0.0539-0.54480.38930.01470.1240.1074-0.1187-0.0365-0.032-0.05130.01270.02190.0708-0.20180.0332-0.0695-0.1791-0.0226-2.5598-10.2286-58.4538
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1{ A|49 - 53 }
2X-RAY DIFFRACTION2{ A|54 - 62 }
3X-RAY DIFFRACTION3{ A|63 - 71 }
4X-RAY DIFFRACTION4{ A|72 - 91 }
5X-RAY DIFFRACTION5{ A|92 - 97 }
6X-RAY DIFFRACTION6{ A|98 - 110 }
7X-RAY DIFFRACTION7{ A|111 - 122 }
8X-RAY DIFFRACTION8{ A|123 - 140 }
9X-RAY DIFFRACTION9{ A|141 - 148 }
10X-RAY DIFFRACTION10{ A|149 - 153 }
11X-RAY DIFFRACTION11{ A|154 - 167 }
12X-RAY DIFFRACTION12{ A|168 - 187 }
13X-RAY DIFFRACTION13{ A|188 - 199 }
14X-RAY DIFFRACTION14{ A|200 - 207 }
15X-RAY DIFFRACTION15{ A|208 - 215 }
16X-RAY DIFFRACTION16{ A|216 - 230 }
17X-RAY DIFFRACTION17{ A|231 - 239 }
18X-RAY DIFFRACTION18{ A|240 - 258 }
19X-RAY DIFFRACTION19{ A|259 - 267 }
20X-RAY DIFFRACTION20{ A|268 - 273 }
21X-RAY DIFFRACTION21{ B|50 - 54 }
22X-RAY DIFFRACTION22{ B|55 - 60 }
23X-RAY DIFFRACTION23{ B|61 - 73 }
24X-RAY DIFFRACTION24{ B|74 - 85 }
25X-RAY DIFFRACTION25{ B|86 - 92 }
26X-RAY DIFFRACTION26{ B|93 - 102 }
27X-RAY DIFFRACTION27{ B|103 - 114 }
28X-RAY DIFFRACTION28{ B|115 - 127 }
29X-RAY DIFFRACTION29{ B|128 - 145 }
30X-RAY DIFFRACTION30{ B|146 - 152 }
31X-RAY DIFFRACTION31{ B|153 - 168 }
32X-RAY DIFFRACTION32{ B|169 - 187 }
33X-RAY DIFFRACTION33{ B|188 - 199 }
34X-RAY DIFFRACTION34{ B|200 - 212 }
35X-RAY DIFFRACTION35{ B|213 - 223 }
36X-RAY DIFFRACTION36{ B|224 - 231 }
37X-RAY DIFFRACTION37{ B|232 - 239 }
38X-RAY DIFFRACTION38{ B|240 - 250 }
39X-RAY DIFFRACTION39{ B|251 - 267 }
40X-RAY DIFFRACTION40{ B|268 - 273 }
41X-RAY DIFFRACTION41{ C|2 - 8 }
42X-RAY DIFFRACTION42{ C|9 - 38 }
43X-RAY DIFFRACTION43{ C|39 - 53 }
44X-RAY DIFFRACTION44{ C|54 - 64 }
45X-RAY DIFFRACTION45{ C|65 - 73 }
46X-RAY DIFFRACTION46{ C|74 - 89 }
47X-RAY DIFFRACTION47{ C|90 - 102 }
48X-RAY DIFFRACTION48{ C|103 - 110 }
49X-RAY DIFFRACTION49{ C|111 - 118 }
50X-RAY DIFFRACTION50{ C|119 - 124 }
51X-RAY DIFFRACTION51{ D|1 - 12 }
52X-RAY DIFFRACTION52{ D|13 - 28 }
53X-RAY DIFFRACTION53{ D|29 - 39 }
54X-RAY DIFFRACTION54{ D|40 - 52 }
55X-RAY DIFFRACTION55{ D|53 - 63 }
56X-RAY DIFFRACTION56{ D|64 - 82 }
57X-RAY DIFFRACTION57{ D|83 - 89 }
58X-RAY DIFFRACTION58{ D|90 - 103 }
59X-RAY DIFFRACTION59{ D|104 - 113 }
60X-RAY DIFFRACTION60{ D|114 - 125 }

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