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- PDB-3ri7: Toluene 4 monooxygenase HD Mutant G103L -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 3ri7
TitleToluene 4 monooxygenase HD Mutant G103L
Components(Toluene-4-monooxygenase system protein ...) x 4
KeywordsOXIDOREDUCTASE / Aromatic Hydrocarbon Catabolism / Iron / Multi-Component Monooxygenase / Diiron
Function / homology
Function and homology information


toluene 4-monooxygenase / toluene 4-monooxygenase activity / toluene catabolic process / monooxygenase activity / metal ion binding
Similarity search - Function
Monooxygenase component MmoB/DmpM / Phenol Hydroxylase P2 Protein / TmoB-like / Toluene-4-monooxygenase system B / TmoB-like superfamily / Toluene-4-monooxygenase system protein B (TmoB) / Monooxygenase component MmoB/DmpM / Monooxygenase component MmoB/DmpM superfamily / MmoB/DmpM family / Methane/phenol monooxygenase, hydroxylase component ...Monooxygenase component MmoB/DmpM / Phenol Hydroxylase P2 Protein / TmoB-like / Toluene-4-monooxygenase system B / TmoB-like superfamily / Toluene-4-monooxygenase system protein B (TmoB) / Monooxygenase component MmoB/DmpM / Monooxygenase component MmoB/DmpM superfamily / MmoB/DmpM family / Methane/phenol monooxygenase, hydroxylase component / Propane/methane/phenol/toluene hydroxylase / Methane/Phenol/Alkene Hydroxylase / Ribonucleotide Reductase, subunit A / Ribonucleotide Reductase, subunit A / Ribonucleotide reductase-like / Ferritin-like superfamily / Ubiquitin-like (UB roll) / Roll / Alpha-Beta Complex / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
ACETATE ION / : / Toluene-4-monooxygenase system, hydroxylase component subunit alpha / Toluene-4-monooxygenase system, hydroxylase component subunit gamma / Toluene-4-monooxygenase system, effector component / Toluene-4-monooxygenase system, hydroxylase component subunit beta
Similarity search - Component
Biological speciesPseudomonas mendocina (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsBailey, L.J. / Elsen, N.L. / Fox, B.G.
CitationJournal: Biochemistry / Year: 2012
Title: Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Authors: Bailey, L.J. / Acheson, J.F. / McCoy, J.G. / Elsen, N.L. / Phillips, G.N. / Fox, B.G.
History
DepositionApr 13, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 8, 2012Provider: repository / Type: Initial release
Revision 1.1Feb 29, 2012Group: Database references
Revision 1.2Feb 28, 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_ref_seq_dif / 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_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.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_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_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_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _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
A: Toluene-4-monooxygenase system protein A
B: Toluene-4-monooxygenase system protein E
C: Toluene-4-monooxygenase system protein B
E: Toluene-4-monooxygenase system protein D
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,3607
Polymers114,1894
Non-polymers1713
Water11,926662
1
A: Toluene-4-monooxygenase system protein A
B: Toluene-4-monooxygenase system protein E
C: Toluene-4-monooxygenase system protein B
E: Toluene-4-monooxygenase system protein D
hetero molecules

A: Toluene-4-monooxygenase system protein A
B: Toluene-4-monooxygenase system protein E
C: Toluene-4-monooxygenase system protein B
E: Toluene-4-monooxygenase system protein D
hetero molecules


Theoretical massNumber of molelcules
Total (without water)228,72014
Polymers228,3798
Non-polymers3416
Water1448
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation4_555x,-y,-z1
Buried area33690 Å2
ΔGint-228 kcal/mol
Surface area63180 Å2
MethodPISA
Unit cell
Length a, b, c (Å)100.798, 116.170, 182.818
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221

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Components

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Toluene-4-monooxygenase system protein ... , 4 types, 4 molecules ABCE

#1: Protein Toluene-4-monooxygenase system protein A


Mass: 57378.340 Da / Num. of mol.: 1 / Mutation: G103L
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Gene: tmoA / Production host: Escherichia coli (E. coli)
References: UniProt: Q00456, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor
#2: Protein Toluene-4-monooxygenase system protein E


Mass: 35930.363 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Gene: tmoE / Production host: Escherichia coli (E. coli)
References: UniProt: Q00460, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor
#3: Protein Toluene-4-monooxygenase system protein B


Mass: 9469.793 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Gene: tmoB / Production host: Escherichia coli (E. coli)
References: UniProt: Q00457, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor
#4: Protein Toluene-4-monooxygenase system protein D


Mass: 11410.759 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Gene: tmoD / Production host: Escherichia coli (E. coli)
References: UniProt: Q00459, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor

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Non-polymers , 3 types, 665 molecules

#5: Chemical ChemComp-FE / FE (III) ION


Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#6: Chemical ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H3O2
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 662 / 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: 2.34 Å3/Da / Density % sol: 43.84 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6
Details: Protein Solution (200 mM Ammonium acetate, 18% PEG 3350 .1 M Bis-Tris), pH 6.0, vapor diffusion, hanging drop, temperature 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 0.97942 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 31, 2008 / Details: mirrors and beryllium lenses
RadiationMonochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97942 Å / Relative weight: 1
ReflectionResolution: 2.1→50 Å / Num. obs: 62395 / % possible obs: 99.7 % / Redundancy: 7.3 % / Rmerge(I) obs: 0.077 / Χ2: 1.009 / Net I/σ(I): 10.6
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
2.1-2.185.80.6360251.101197.4
2.18-2.2670.49261971.095199.8
2.26-2.377.40.3761871.0551100
2.37-2.497.50.27762001.0611100
2.49-2.657.50.19962441.0761100
2.65-2.857.50.14362101.0321100
2.85-3.147.50.09262290.9771100
3.14-3.597.50.05562730.9821100
3.59-4.527.50.0563300.8511100
4.52-507.30.02865000.897199.8

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Processing

Software
NameVersionClassificationNB
SCALEPACKdata scaling
REFMAC5.5.0109refinement
PDB_EXTRACT3.1data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→39.19 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.946 / Occupancy max: 1 / Occupancy min: 0.35 / SU B: 10.309 / SU ML: 0.124 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.175 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY
RfactorNum. reflection% reflectionSelection details
Rfree0.2126 3158 5.1 %RANDOM
Rwork0.1682 ---
obs0.1705 62329 99.58 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso max: 51.27 Å2 / Biso mean: 32.486 Å2 / Biso min: 2 Å2
Baniso -1Baniso -2Baniso -3
1-0.09 Å20 Å20 Å2
2---0.07 Å20 Å2
3----0.02 Å2
Refinement stepCycle: LAST / Resolution: 2.1→39.19 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8042 0 6 662 8710
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.0218356
X-RAY DIFFRACTIONr_angle_refined_deg0.9341.93211358
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.945999
X-RAY DIFFRACTIONr_dihedral_angle_2_deg33.63724.045440
X-RAY DIFFRACTIONr_dihedral_angle_3_deg12.937151400
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.2561557
X-RAY DIFFRACTIONr_chiral_restr0.070.21171
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0216548
X-RAY DIFFRACTIONr_mcbond_it0.3451.54955
X-RAY DIFFRACTIONr_mcangle_it0.66227994
X-RAY DIFFRACTIONr_scbond_it1.12733401
X-RAY DIFFRACTIONr_scangle_it1.8034.53359
LS refinement shellResolution: 2.102→2.157 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.319 223 -
Rwork0.274 4163 -
all-4386 -
obs--95.58 %
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)
10.73290.4268-0.19780.7969-0.39610.8611-0.02260.07730.0589-0.17460.04020.04820.0163-0.0552-0.01770.13390.00380.00020.1503-0.01960.1284-33.828511.2859-27.5099
23.36180.9723-0.74137.8149-2.40154.0995-0.0260.1395-0.0246-0.14460.07450.34120.1081-0.2835-0.04840.16760.0092-0.00230.1776-0.01240.1544-29.328712.7403-37.9496
30.97080.10930.6030.27570.00260.60450.06550.0087-0.0881-0.0270.00110.02260.1231-0.0112-0.06670.10050.00320.00610.0889-0.00080.1036-18.77173.313-11.1348
41.7230.675-1.68660.4103-0.75921.85270.0889-0.1920.15620.0892-0.0616-0.1191-0.23060.2963-0.02730.2063-0.0133-0.02770.1983-0.00110.24955.75089.41722.6473
50.34920.0483-0.00010.6033-0.00080.4782-0.00010.06280.01870.0009-0.0044-0.0094-0.00020.04590.00440.10590.00090.01320.0905-0.00140.0886-12.977914.9151-16.4481
63.97073.96831.96644.40632.14241.26650.2151-0.3626-0.19330.422-0.1231-0.38330.09160.1133-0.09190.22450.0115-0.06020.3356-0.01040.1995-1.960817.0666-0.1294
70.2661-0.046-0.01780.45-0.18870.39490.00530.0585-0.0035-0.0494-0.0015-0.00790.01420.0367-0.00370.09840.0030.00730.1065-0.00260.1056-7.039413.9702-19.7945
86.50222.11882.26631.84161.17741.8599-0.00990.2143-0.0604-0.15420.03680.10870.0635-0.0495-0.02680.14340.01310.02350.10470.00740.1173-8.806714.1418-36.6857
92.31580.86760.26561.77180.72950.50530.00470.0106-0.10030.01050.0399-0.07030.03030.0751-0.04470.11310.00570.01370.10440.00730.10116.18496.0998-22.5978
102.59190.30912.40768.0992-2.21783.6594-0.03130.19860.1751-0.23180.021-0.0949-0.11990.08790.01030.13970.00550.00430.1437-0.01390.1293-8.90482.4919-38.7271
112.6042-0.84273.41370.974-0.535.23390.08780.1402-0.1473-0.0967-0.0072-0.01530.15370.1172-0.08060.1412-0.00820.02250.1398-0.00960.15815.346411.4797-36.3823
121.2201-0.3429-0.4511.43330.33781.09470.00620.0108-0.0157-0.00480.0239-0.2581-0.00450.228-0.03010.1475-0.0015-0.00690.14950.01350.134719.59416.6941-20.3819
132.168-0.15690.85260.4034-0.27951.0842-0.0060.07520.04390.0051-0.0297-0.1278-0.01760.10540.03560.1476-0.0070.01290.12380.00260.13397.802527.1001-34.2316
142.1421.29431.18662.39331.39132.3557-0.0186-0.04170.07040.04140.0182-0.0775-0.09590.10870.00050.13960.01260.01880.13490.01650.1396-0.105335.6915-28.4405
150.589-1.1730.59483.9226-4.44628.7028-0.0316-0.13980.13610.3005-0.0404-0.2755-0.33290.26610.0720.1611-0.01480.00310.1767-0.01460.17426.054433.7528-10.3442
166.9176-3.23180.57274.8951-1.14143.5719-0.2581-0.4903-0.04730.2130.2999-0.54880.38190.5034-0.04180.2197-0.0115-0.02130.2146-0.02420.178321.543217.7028-9.9411
176.97395.91-1.58898.8233-4.30927.09930.5767-0.41830.4960.5833-0.39340.0507-0.66060.4856-0.18330.22710.04110.00930.1946-0.04110.22844.485431.56190.6604
183.6325-2.1671-3.86752.35612.69117.1032-0.0197-0.62960.44870.48860.14440.239-0.495-0.08-0.12470.42170.00640.11780.3876-0.14030.4127-9.249428.66232.4194
192.062-0.83580.64761.9009-1.46776.4499-0.0487-0.13630.18190.2697-0.0422-0.1348-0.44860.16850.0910.0988-0.00540.00240.1016-0.00930.1252-14.399723.1423-2.5655
200.5328-0.0573-0.06861.01710.12961.60030.02940.00960.2525-0.0028-0.01060.0291-0.2384-0.0473-0.01880.1369-0.0028-0.00180.13010.00160.1386-16.704333.8199-23.4783
213.8630.19380.14936.5695-2.5814.54510.05390.04950.19660.2435-0.0965-0.1331-0.33110.14560.04260.11750.01290.00490.1475-0.03990.107-22.749930.8626-4.9916
223.34972.09240.2611.51630.17630.5560.0889-0.0994-0.11820.0952-0.07720.04710.1228-0.1199-0.01160.12320.01390.00010.11670.00260.1149-31.72873.4771-4.6743
2311.5729-3.10472.777710.774-2.27929.26640.088-0.0344-0.4883-0.14840.06370.37570.1667-0.2087-0.15160.1945-0.03730.03260.1835-0.01140.1665-53.0946-4.8877-9.6787
242.86831.9451-1.54311.474-1.06150.9738-0.00580.09020.11970.02880.07210.25910.0575-0.2157-0.06630.1745-0.01520.01280.2148-0.01240.2174-49.10116.688-19.2226
250.61530.2686-0.11320.9219-0.11080.4972-0.03460.04970.0088-0.08060.020.13010.0539-0.07790.01470.11860.01750.00380.12570.00180.112-34.706211.6755-16.461
262.56562.25920.32524.23120.98321.5393-0.01320.3573-0.0185-0.4170.00050.34820.0372-0.34170.01270.17310.0146-0.00640.1851-0.00610.1637-46.96399.7953-28.9899
271.26370.83690.16521.02790.27640.542-0.03890.06580.0933-0.08790.00370.1631-0.002-0.10380.03510.1390.01240.00070.1330.00250.143-38.9125.1484-19.7151
282.34231.30460.51812.73480.10480.89620.0657-0.2030.15190.1127-0.06470.36540.0014-0.2791-0.0010.15690.01020.01090.1552-0.00530.119-45.832111.3404-6.5737
290.9612-1.42060.38954.8459-0.48161.53690.0125-0.02320.25870.2154-0.0080.1227-0.2891-0.0036-0.00460.1655-0.00140.02870.1816-0.0070.2001-30.134433.8367-5.0037
306.7565.22415.41176.13163.92074.51890.0355-0.71650.57030.5185-0.31060.6697-0.0396-0.62360.27510.19960.01320.02580.17050.01310.2326-39.870936.205-14.6219
314.10411.4519-1.30326.1681-1.96214.3419-0.01840.08610.3403-0.00040.09930.7227-0.0196-0.2822-0.08080.17740.0225-0.00650.2028-0.0080.1698-52.755220.6768-18.0359
322.5938-1.220.1322.8587-1.13292.43460.00980.10260.2495-0.0736-0.0079-0.2378-0.1706-0.0252-0.0020.1623-0.0193-0.00890.1972-0.01160.1617.674732.1182-32.3513
331.45470.8806-0.88710.8972-0.70561.04290.14460.24270.44530.04580.00110.0051-0.46150.1359-0.14570.4232-0.07870.01580.35380.0810.39418.659943.81-32.8749
344.86084.111-3.724713.2472-1.859711.35-0.03940.00670.17270.0823-0.1509-0.508-0.15510.61940.19030.24910.00850.00340.2721-0.01070.276326.555840.0812-35.6829
353.3625-0.5710.19970.548-0.35443.0937-0.00770.03650.1970.0274-0.0218-0.1328-0.25560.13010.02950.2094-0.00150.00030.206-0.00180.209423.459835.663-27.3686
369.00610.6719-0.82033.8939-1.54244.6211-0.0099-0.10270.07910.03050.0337-0.2731-0.05070.2748-0.02370.2013-0.0001-0.00510.18940.00260.190225.806527.1628-25.4986
370.82370.7634-2.11172.7004-3.55837.5417-0.01860.06640.0488-0.1913-0.1781-0.54230.15930.53790.19670.2825-0.0082-0.00770.3446-0.01550.291633.445728.9881-34.9003
386.69334.0008-1.62445.9567-1.36723.8119-0.11790.3375-0.0997-0.32370.1284-0.1144-0.04460.0167-0.01060.2370.0168-0.00120.2243-0.00690.208719.696631.1703-42.6263
399.77493.7584-1.39595.51941.96424.018-0.09880.7411-0.1517-1.0250.0820.1215-0.1801-0.13150.01680.33470.0146-0.01190.31290.01420.301821.729433.354-47.4554
407.4336-8.7812-1.257310.58641.64780.36560.05880.28870.4233-0.2587-0.108-0.4757-0.13990.13630.04920.3633-0.0511-0.01160.38810.03410.340227.086542.3347-43.371
412.50441.7464-3.16451.5456-2.42014.59310.00810.20380.1871-0.16840.0258-0.1527-0.16630.1329-0.03390.3557-0.02990.03660.35950.0350.362715.240543.2929-41.3238
4214.9033-2.0302-1.61325.10120.44964.72950.23750.5984-0.2897-0.4585-0.2294-0.47970.34420.4017-0.00820.2943-0.0352-0.01510.21830.01090.198423.052130.7403-39.9638
436.87324.3287-0.62933.4253-0.63440.6205-0.27370.63210.0198-0.49250.1622-0.4178-0.12540.35110.11160.382-0.03470.11980.39910.06390.36970.8077-4.2406-36.3597
443.14762.3526-0.67434.86862.43479.42430.0146-0.268-0.28150.2995-0.0816-0.20640.26570.25090.0670.07670.01570.00040.120.00060.1376-7.4003-7.3544-14.1293
451.47131.48851.93823.36322.09335.65090.06270.2829-0.4052-0.13580.1081-0.20580.50830.28-0.17080.14620.00640.0030.1828-0.03330.2224-9.9682-17.9798-20.1843
463.85723.33461.42658.24085.15484.18470.01260.2732-0.2925-0.15050.2782-0.35360.16310.3138-0.29080.15390.032-0.01180.14990.02190.1442-0.6001-9.3172-20.3459
475.89761.83854.5295.1367-0.00693.98050.10950.486-0.4832-0.31730.2729-0.2360.25240.3668-0.38240.13340.01250.01490.15080.0010.1627-5.3484-10.0913-27.132
488.01290.894-6.56194.5191-2.732511.062-0.15650.1888-0.1702-0.11480.12940.14660.4726-0.56870.0270.1263-0.0021-0.0290.1173-0.01710.1448-16.9073-15.129-21.2601
4911.9097-6.2673-1.61463.64992.580515.9326-0.04610.1407-0.56280.0661-0.02940.46460.4653-0.36220.07540.145-0.0135-0.00670.14710.03130.2212-15.3974-17.2249-11.0881
501.2038-1.45382.77626.6179-9.238513.6602-0.0938-0.05670.08640.15820.24170.2748-0.176-0.3602-0.14790.16360.00050.01070.1586-0.01810.177-20.0954-9.9986-11.2776
512.977-0.4053-1.20052.44171.01785.16670.0105-0.0324-0.01170.0870.02040.1376-0.0193-0.2305-0.03080.08750.0031-0.01280.08110.00060.109-13.1556-3.0338-17.7611
521.68832.1139-2.11176.7081-3.55516.3394-0.02540.31310.02140.07520.16250.46660.2111-0.7352-0.1370.1540.0088-0.01590.1704-0.00880.1679-20.4138-8.7149-24.7944
533.2874-0.13550.79793.6415-0.24458.1417-0.00240.51910.1228-0.50450.0272-0.2601-0.02980.0106-0.02480.151-0.0019-0.01050.1224-0.00420.1735-11.7272-6.6115-35.4918
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A2 - 35
2X-RAY DIFFRACTION2A36 - 46
3X-RAY DIFFRACTION3A47 - 76
4X-RAY DIFFRACTION4A77 - 85
5X-RAY DIFFRACTION5A86 - 142
6X-RAY DIFFRACTION6A143 - 152
7X-RAY DIFFRACTION7A153 - 244
8X-RAY DIFFRACTION8A245 - 270
9X-RAY DIFFRACTION9A271 - 303
10X-RAY DIFFRACTION10A304 - 313
11X-RAY DIFFRACTION11A314 - 328
12X-RAY DIFFRACTION12A329 - 386
13X-RAY DIFFRACTION13A387 - 437
14X-RAY DIFFRACTION14A438 - 464
15X-RAY DIFFRACTION15A465 - 478
16X-RAY DIFFRACTION16A479 - 493
17X-RAY DIFFRACTION17B2 - 9
18X-RAY DIFFRACTION18B10 - 19
19X-RAY DIFFRACTION19B20 - 32
20X-RAY DIFFRACTION20B33 - 63
21X-RAY DIFFRACTION21B64 - 76
22X-RAY DIFFRACTION22B77 - 102
23X-RAY DIFFRACTION23B103 - 111
24X-RAY DIFFRACTION24B112 - 126
25X-RAY DIFFRACTION25B127 - 182
26X-RAY DIFFRACTION26B183 - 192
27X-RAY DIFFRACTION27B193 - 226
28X-RAY DIFFRACTION28B227 - 261
29X-RAY DIFFRACTION29B262 - 277
30X-RAY DIFFRACTION30B278 - 290
31X-RAY DIFFRACTION31B291 - 305
32X-RAY DIFFRACTION32C2 - 17
33X-RAY DIFFRACTION33C18 - 25
34X-RAY DIFFRACTION34C26 - 32
35X-RAY DIFFRACTION35C33 - 37
36X-RAY DIFFRACTION36C38 - 44
37X-RAY DIFFRACTION37C45 - 50
38X-RAY DIFFRACTION38C51 - 56
39X-RAY DIFFRACTION39C57 - 61
40X-RAY DIFFRACTION40C62 - 66
41X-RAY DIFFRACTION41C67 - 75
42X-RAY DIFFRACTION42C76 - 84
43X-RAY DIFFRACTION43E3 - 14
44X-RAY DIFFRACTION44E15 - 25
45X-RAY DIFFRACTION45E26 - 37
46X-RAY DIFFRACTION46E38 - 49
47X-RAY DIFFRACTION47E50 - 55
48X-RAY DIFFRACTION48E56 - 63
49X-RAY DIFFRACTION49E64 - 69
50X-RAY DIFFRACTION50E70 - 75
51X-RAY DIFFRACTION51E76 - 86
52X-RAY DIFFRACTION52E87 - 96
53X-RAY DIFFRACTION53E97 - 103

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