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- PDB-1xpr: Structural mechanism of inhibition of the Rho transcription termi... -

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Basic information

Entry
Database: PDB / ID: 1xpr
TitleStructural mechanism of inhibition of the Rho transcription termination factor by the antibiotic 5a-formylbicyclomycin (FB)
Components
  • 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
  • Rho transcription termination factor
KeywordsTRANSCRIPTION/RNA / Rho / 5a-formylbicyclomycin / FB / ATPgammaS / TRANSCRIPTION-RNA COMPLEX
Function / homology
Function and homology information


methane monooxygenase (soluble) / methane monooxygenase NADH activity / methane monooxygenase NADPH activity / cellular aromatic compound metabolic process / ATP-dependent activity, acting on RNA / helicase activity / DNA-templated transcription termination / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / one-carbon metabolic process / ATP hydrolysis activity ...methane monooxygenase (soluble) / methane monooxygenase NADH activity / methane monooxygenase NADPH activity / cellular aromatic compound metabolic process / ATP-dependent activity, acting on RNA / helicase activity / DNA-templated transcription termination / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / one-carbon metabolic process / ATP hydrolysis activity / RNA binding / ATP binding / membrane / identical protein binding / metal ion binding / cytosol
Similarity search - Function
Transcription termination factor Rho / Rho termination factor, N-terminal / Rho termination factor, RNA-binding domain / Transcription termination factor Rho, ATP binding domain / Rho termination factor, RNA-binding domain / Rho termination factor, N-terminal domain / Rho RNA-binding domain profile. / Rho termination factor, N-terminal domain / Rho termination factor, N-terminal domain superfamily / Propane/methane/phenol/toluene hydroxylase ...Transcription termination factor Rho / Rho termination factor, N-terminal / Rho termination factor, RNA-binding domain / Transcription termination factor Rho, ATP binding domain / Rho termination factor, RNA-binding domain / Rho termination factor, N-terminal domain / Rho RNA-binding domain profile. / Rho termination factor, N-terminal domain / Rho termination factor, N-terminal domain superfamily / Propane/methane/phenol/toluene hydroxylase / Methane/Phenol/Alkene Hydroxylase / Cold shock domain / Cold shock protein domain / Ribonucleotide reductase-like / ATPase, F1/V1/A1 complex, alpha/beta subunit, nucleotide-binding domain / ATP synthase alpha/beta family, nucleotide-binding domain / Nucleic acid-binding proteins / Ferritin-like superfamily / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / P-loop containing nucleotide triphosphate hydrolases / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Nucleic acid-binding, OB-fold / Beta Barrel / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / 3-Layer(aba) Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER / 5A-FORMYLBICYCLOMYCIN / RNA / Transcription termination factor Rho / Methane monooxygenase component A alpha chain
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.15 Å
AuthorsSkordalakes, E. / Brogan, A.P. / Park, B.S. / Kohn, H. / Berger, J.M.
CitationJournal: Structure / Year: 2005
Title: Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Authors: Skordalakes, E. / Brogan, A.P. / Park, B.S. / Kohn, H. / Berger, J.M.
History
DepositionOct 9, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 2, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 1.3Feb 14, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
G: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
M: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
H: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
J: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
K: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
L: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
A: Rho transcription termination factor
B: Rho transcription termination factor
C: Rho transcription termination factor
D: Rho transcription termination factor
E: Rho transcription termination factor
F: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)301,76029
Polymers296,82412
Non-polymers4,93717
Water0
1
G: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
A: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,0184
Polymers49,4712
Non-polymers5482
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
M: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
B: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,3485
Polymers49,4712
Non-polymers8783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
H: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
C: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,3485
Polymers49,4712
Non-polymers8783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
D: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,3485
Polymers49,4712
Non-polymers8783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
K: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
E: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,3485
Polymers49,4712
Non-polymers8783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
L: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'
F: Rho transcription termination factor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,3485
Polymers49,4712
Non-polymers8783
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)210.526, 109.679, 160.046
Angle α, β, γ (deg.)90.00, 108.16, 90.00
Int Tables number5
Cell settingmonoclinic
Space group name H-MC121

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Components

#1: RNA chain
5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3'


Mass: 2400.433 Da / Num. of mol.: 6 / Source method: obtained synthetically / Details: ssRNA
#2: Protein
Rho transcription termination factor


Mass: 47070.168 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) / References: UniProt: P22869, UniProt: P0AG30*PLUS
#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#4: Chemical
ChemComp-AGS / PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER / ATP-GAMMA-S / ADENOSINE 5'-(3-THIOTRIPHOSPHATE) / ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE) / ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE


Mass: 523.247 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H16N5O12P3S / Comment: ATP-gamma-S, energy-carrying molecule analogue*YM
#5: Chemical
ChemComp-FB / 5A-FORMYLBICYCLOMYCIN


Mass: 330.291 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C13H18N2O8

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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: 3.16 Å3/Da / Density % sol: 60.8 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6.5
Details: PEG 3350, Na Cacodylate, NaCl, glycerol, Na DihydrogenPhosphate, pH 6.5, VAPOR DIFFUSION, temperature 293K
Components of the solutions
IDNameCrystal-IDSol-ID
1PEG 335011
2NaClSodium chloride11
3glycerol11
4NaH2PO411
5sodium Cacodylate11
6PEG 335012
7NaClSodium chloride12
8glycerol12
9NaH2PO412

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.1 Å
DetectorDetector: CCD
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3.15→20 Å / Num. obs: 49136 / % possible obs: 86.5 % / Observed criterion σ(I): 1
Reflection shellResolution: 3.15→3.23 Å / % possible all: 76.7

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Processing

Software
NameVersionClassification
MOSFLMdata reduction
SCALAdata scaling
AMoREphasing
REFMAC5.2refinement
CCP4(SCALA)data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.15→20 Å / Cor.coef. Fo:Fc: 0.89 / Cor.coef. Fo:Fc free: 0.889 / SU B: 64.294 / SU ML: 0.494 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.64 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.29582 2613 5 %RANDOM
Rwork0.27357 ---
obs0.28389 49136 86.48 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 58.041 Å2
Baniso -1Baniso -2Baniso -3
1-1.15 Å20 Å2-2.04 Å2
2---1.55 Å20 Å2
3----0.88 Å2
Refinement stepCycle: LAST / Resolution: 3.15→20 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms19268 239 307 0 19814
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.02220120
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.0812.00127193
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg3.99452423
X-RAY DIFFRACTIONr_dihedral_angle_2_deg41.16324.189888
X-RAY DIFFRACTIONr_dihedral_angle_3_deg17.528153730
X-RAY DIFFRACTIONr_dihedral_angle_4_deg13.57415162
X-RAY DIFFRACTIONr_chiral_restr0.0540.23125
X-RAY DIFFRACTIONr_gen_planes_refined0.0030.0214666
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.1840.29262
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.2920.213685
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.140.2507
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined0.0580.26
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1350.252
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.0990.23
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_mcbond_it0.3081.512595
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.551219617
X-RAY DIFFRACTIONr_scbond_it0.18538393
X-RAY DIFFRACTIONr_scangle_it0.2954.57576
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 3.15→3.23 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.408 173 -
Rwork0.41 3129 -
obs--76.74 %
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)
113.54080.9174-1.45760.65950.40836.139-0.1029-0.3011-1.1458-0.3639-0.0899-0.14181.3582-0.41570.1927-0.0964-0.0129-0.2986-0.76480.11720.0384-10.1269-43.6666-5.6929
23.626-0.05130.86687.13640.92390.33-0.3767-0.3-0.22540.30810.09120.7109-0.3525-0.79750.2855-0.2385-0.020.0649-0.1067-0.0880.3779-36.7457-5.595311.0071
30.82190.61411.52377.5386-6.357210.76070.06230.81690.5011-0.34360.04870.6836-0.0614-0.6449-0.111-0.40770.17430.0013-0.2337-0.0652-0.0323-17.621539.373118.0407
44.11620.0792-3.65497.71542.60834.17550.41220.24820.3853-0.2603-0.326-0.3657-0.29820.9286-0.0862-0.071-0.0889-0.0015-0.03310.166-0.038731.148747.075714.9589
52.2947-2.636-0.508414.87634.60961.48040.22760.23410.1492-0.79520.5583-0.6684-0.34110.8321-0.7859-0.3868-0.14360.24720.0640.14450.135164.666710.310713.9146
64.5045-0.4634-1.16687.9949-1.2581.0753-0.27130.3672-0.1888-0.15570.339-0.56240.3536-0.0274-0.0677-0.17270.09080.13370.0202-0.2093-0.044952.8909-37.27621.4652
71.5393-0.62910.9442.07081.08094.54520.40570.0097-0.1747-0.0282-0.4160.47290.0663-0.34120.0103-0.2151-0.2188-0.0782-0.30940.04120.1401-20.5528-26.59584.897
80.8360.10980.85252.95460.45473.36090.0131-0.0017-0.1367-0.32990.0120.5306-0.2629-0.0729-0.0251-0.40850.08760.07160.0734-0.14250.1372-27.245714.015217.2213
92.4391-0.17570.40210.5653-0.36833.8957-0.0010.45560.26830.18950.0341-0.0297-0.3279-0.0649-0.03310.00820.05890.0172-0.2605-0.0368-0.06324.850142.336519.8042
101.6457-1.18890.66912.32870.28523.07570.26180.19230.2743-0.5598-0.3092-0.5157-0.04630.13740.0474-0.1401-0.21010.143-0.00860.1710.074246.195330.059917.7594
111.03090.88460.20982.7903-0.71344.2895-0.22910.0385-0.1484-0.65510.2846-0.42280.27580.0483-0.0555-0.34360.05580.20280.0875-0.0603-0.051459.3821-10.877120.6829
120.9929-0.4677-0.45292.2099-0.59435.2712-0.10280.7147-0.47-0.29580.12270.28080.2628-0.1543-0.02-0.0234-0.15610.0002-0.1469-0.1057-0.151432.9756-42.953431.6472
130.8402-0.5407-0.62191.76950.8472.94680.0245-0.1726-0.15620.26230.06570.11930.42510.1975-0.09020.0134-0.05950.0111-0.27290.12770.0709-5.9144-23.117326.8084
140.91360.27070.30422.44341.06963.42270.047-0.2944-0.16930.26350.01830.05980.2279-0.1269-0.0653-0.1259-0.03670.1409-0.00820.0370.0075-12.46356.333237.7946
152.0740.29980.45690.4512-0.20213.015-0.005-0.0858-0.07430.198300.0321-0.1043-0.12530.005-0.04890.03690.0341-0.1605-0.1044-0.08910.05329.021242.0298
162.8464-1.0730.57572.0337-0.17352.2372-0.1784-0.21330.11320.35060.1445-0.2152-0.23590.02090.034-0.1639-0.0951-0.0509-0.1407-0.0315-0.084441.370722.434742.4426
170.95930.3210.56192.3366-0.76422.88290.098-0.07810.05580.3833-0.1332-0.2343-0.06620.14730.0352-0.25550.0112-0.01210.0121-0.0297-0.057653.0448-7.123746.1813
181.1540.0828-0.23171.1195-0.63623.09160.03920.1766-0.05450.03310.0053-0.05430.2116-0.1963-0.0445-0.1058-0.0338-0.0126-0.12540.017-0.226935.0588-32.061155.4898
193.105-2.3483-4.992417.92046.358.4374-0.3046-0.9113-0.2272-0.670.20610.86680.2276-0.65860.09850.006-0.0309-0.01140.06850.28820.1197-9.6795-35.876451.4635
206.38552.2433-12.59410.7881-4.424524.83940.38551.20050.41230.91740.7111-0.50450.5977-0.1691-1.09660.0194-0.2055-0.0076-0.08260.05840.0006-20.5515.226364.0642
2117.4215-13.76591.144529.089312.29259.6379-1.913-0.3128-0.29170.06321.3432-0.7405-1.8298-1.05550.56980.0128-0.071-0.1175-0.2088-0.1524-0.55549.299539.825867.3677
2219.368-1.26775.248110.22240.5951.509-1.0666-0.3401-0.8440.6210.4551-0.0427-1.12450.05570.61150.0044-0.0462-0.27740.0248-0.3747-0.358552.52932.370465.6405
233.449-2.3538-2.07682.552-0.33834.5104-1.32680.0942-1.77020.63250.2606-0.14170.7357-0.75311.06610.0753-0.0785-0.30190.0488-0.02740.081870.1827-7.917667.647
2430.5867-11.79-2.18985.41292.00211.70130.10240.2362-0.33680.41310.09340.71861.52571.7531-0.19580.3738-0.1328-0.0888-0.43590.2029-0.565846.1617-42.932378.0379
25108.1312121.4072-66.4463234.4513-97.647176.36661.176-2.1611-0.543-4.0618-1.02266.70694.6617-1.4807-0.15340.01830.0028-0.01030.00760.00940.01765.0974-33.271628.7482
26316.06374.2614-169.78844.00047.6714280.1980.1404-2.68750.96372.51631.23511.48351.3105-9.9266-1.37550.0157-0.00130.00190.0186-0.00960.0262-14.3857-8.045941.9994
2728.0664-79.606-64.9329250.0439210.6338179.0958-0.2188-0.28182.59382.88182.7625-0.2656-1.1703-4.9891-2.54370.0108-0.0276-0.01260.03310.09740.0432-2.017323.82149.4813
28126.6851138.1442133.6547150.7085143.623206.45072.8538-1.53633.27481.4570.5825-3.47-4.6213-1.1021-3.4363-0.0168-0.0703-0.0884-0.0008-0.0688-0.034431.440431.04149.8631
29428.805154.2273180.969312.29851.7628158.38-0.6922-0.5665-4.56891.37410.9094-0.1254-2.36877.7093-0.21720.0091-0.01120.01740.0133-0.01750.023355.50366.80851.2207
30118.2101-126.627550.0507135.7596-57.4487148.8463-5.7261-2.40843.8332-0.0664.1842-4.66014.43653.52171.54190.0026-0.03030.0193-0.00710.0207-0.020848.467-25.812858.3936
31000000000000000-0.0013-0.00010.0001-0.0019-0.0006-0.0014.4311-29.560622.3817
32000000000000000-0.00110.0001-0.0009-0.0019-0.0041-0.0032-13.1114-6.091335.6812
33000000000000000-0.0076-0.0062-0.00290.00380.004-0.00140.029322.075242.3644
340000000000000000.00320.0031-0.0037-0.0044-0.011-0.008430.362227.851543.3054
350000000000000000.0044-0.0059-0.00830.0032-0.0024-0.00251.84016.242344.7915
360000000000000000.0006-0.0012-0.00250.00220.00250.000544.9298-24.299352.2447
37531.6088-116.0813171.065596.5655-124.6721162.1054-5.52761.04361.55474.35323.4105-2.54050.48361.60292.1171-0.0370.12410.04450.213-0.30770.0152-7.7394-6.082232.2429
3852.8717-90.3645-6.5688437.781-213.2108178.59850.57872.8775-1.80920.1804-0.1048-2.3247-1.13591.8317-0.4738-0.0722-0.0964-0.1376-0.0084-0.02130.11211.502917.717639.7428
39143.968558.3273-167.2885121.5471-111.3897213.813-0.40070.54920.53360.7972.66271.122-2.27391.6136-2.2620.0362-0.1172-0.15570.06630.0865-0.001927.05823.341241.7593
40395.0593-92.8995-250.782623.973475.7998292.280.70171.499-3.61780.8476-2.76694.3547-1.2177-1.02112.06510.0218-0.2180.05-0.06580.1161-0.102745.83465.171744.3966
41101.0669-80.353937.523429.0134192.5327149.35351.70774.64231.99594.4321-0.0085-2.43461.6129-3.3437-1.69920.11450.11870.13290.00780.0882-0.025741.0237-19.789651.1536
42280.84121.0804128.386437.00625.4969125.2365-3.739.1084.0953-1.57021.0309-0.0859-2.44784.13412.69910.00650.0004-0.02020.02460.03970.0235-15.9949-22.3312-11.0335
43173.0202-148.1475176.2232188.7767-116.4609276.25462.325.49241.2915-1.9873-4.7711-2.3639-3.28416.9892.45110.01240.0115-0.00060.0186-0.00480.0124-21.23447.66532.3918
4489.591248.8002-6.949562.555647.96674.9869-0.5182-3.33983.4324-14.95192.3521-6.656211.0299-2.9426-1.83380.02150.0158-0.009-0.0005-0.00980.0056-0.626932.30585.8701
4590.19724.815-20.78538.2639-32.3845126.95051.46680.1464-6.1475-0.1186-0.8562-3.87521.6466-3.9767-0.61050.00160.001800.00440.0025-0.001333.079627.25196.9242
46125.2803-33.8348-39.584156.196321.715558.0497-1.540.8795-2.2534-0.1927-4.2298-0.08044.5551-5.03835.7698-0.00430.0011-0.0033-0.001-0.00870.001647.4904-3.751810.4119
476.2263-9.7996-19.455515.604636.7259266.654-0.19382.12123.09731.4455-1.94347.3395-0.08640.20422.13710.0008-0.0033-0.00830.00010.0035-0.001531.4943-29.827719.4904
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AG1 - 461 - 46
2X-RAY DIFFRACTION2BH1 - 461 - 46
3X-RAY DIFFRACTION3CI1 - 461 - 46
4X-RAY DIFFRACTION4DJ1 - 461 - 46
5X-RAY DIFFRACTION5EK1 - 461 - 46
6X-RAY DIFFRACTION6FL1 - 461 - 46
7X-RAY DIFFRACTION7AG47 - 15547 - 155
8X-RAY DIFFRACTION8BH47 - 15547 - 155
9X-RAY DIFFRACTION9CI47 - 15547 - 155
10X-RAY DIFFRACTION10DJ47 - 15547 - 155
11X-RAY DIFFRACTION11EK47 - 15547 - 155
12X-RAY DIFFRACTION12FL47 - 15547 - 155
13X-RAY DIFFRACTION13AG156 - 400156 - 400
14X-RAY DIFFRACTION14BH156 - 400156 - 400
15X-RAY DIFFRACTION15CI156 - 400156 - 400
16X-RAY DIFFRACTION16DJ156 - 400156 - 400
17X-RAY DIFFRACTION17EK156 - 400156 - 400
18X-RAY DIFFRACTION18FL156 - 400156 - 400
19X-RAY DIFFRACTION19AG401 - 417401 - 417
20X-RAY DIFFRACTION20BH401 - 417401 - 417
21X-RAY DIFFRACTION21CI401 - 417401 - 417
22X-RAY DIFFRACTION22DJ401 - 417401 - 417
23X-RAY DIFFRACTION23EK401 - 417401 - 417
24X-RAY DIFFRACTION24FL401 - 417401 - 417
25X-RAY DIFFRACTION25AS16001
26X-RAY DIFFRACTION26BT26001
27X-RAY DIFFRACTION27CU36001
28X-RAY DIFFRACTION28DV46001
29X-RAY DIFFRACTION29EW56001
30X-RAY DIFFRACTION30FX66001
31X-RAY DIFFRACTION31AM16011
32X-RAY DIFFRACTION32BN26011
33X-RAY DIFFRACTION33CO36011
34X-RAY DIFFRACTION34DP46011
35X-RAY DIFFRACTION35EQ56011
36X-RAY DIFFRACTION36FR66011
37X-RAY DIFFRACTION37BY27011
38X-RAY DIFFRACTION38CZ37011
39X-RAY DIFFRACTION39DAA47011
40X-RAY DIFFRACTION40EBA57011
41X-RAY DIFFRACTION41FCA67011
42X-RAY DIFFRACTION42GA1 - 26 - 7
43X-RAY DIFFRACTION43MB1 - 26 - 7
44X-RAY DIFFRACTION44HC1 - 26 - 7
45X-RAY DIFFRACTION45JD1 - 26 - 7
46X-RAY DIFFRACTION46KE1 - 26 - 7
47X-RAY DIFFRACTION47LF1 - 26 - 7

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