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- PDB-3q14: Toluene 4 monooxygenase HD Complex with p-cresol -

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Basic information

Entry
Database: PDB / ID: 3q14
TitleToluene 4 monooxygenase HD Complex with p-cresol
Components
  • (Toluene-4-monooxygenase system protein ...) x 3
  • PENTAETHYLENE GLYCOLPolyethylene glycol
KeywordsOXIDOREDUCTASE / aromatic hydrocarbon catabolism / iron / multi-component monooxygenase / aromatic hydroxylation
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
: / P-CRESOL / 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 / Toluene-4-monooxygenase system, hydroxylase component subunit alpha
Similarity search - Component
Biological speciesPseudomonas mendocina (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.75 Å
AuthorsAcheson, J.F. / Bailey, L.J. / 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
DepositionDec 16, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 21, 2011Provider: repository / Type: Initial release
Revision 1.1Feb 8, 2012Group: Database references
Revision 1.2Feb 29, 2012Group: Database references
Revision 1.3Nov 8, 2017Group: Refinement description / Category: software
Revision 1.4Feb 21, 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_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_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: PENTAETHYLENE GLYCOL
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)115,9048
Polymers115,5764
Non-polymers3284
Water14,826823
1
A: PENTAETHYLENE GLYCOL
B: Toluene-4-monooxygenase system protein E
C: Toluene-4-monooxygenase system protein B
E: Toluene-4-monooxygenase system protein D
hetero molecules

A: PENTAETHYLENE GLYCOL
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)231,80816
Polymers231,1528
Non-polymers6568
Water1448
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation4_555x,-y,-z1
Unit cell
Length a, b, c (Å)98.363, 116.023, 180.711
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221
Components on special symmetry positions
IDModelComponents
11A-526-

HOH

21A-771-

HOH

31A-888-

HOH

41A-891-

HOH

51B-659-

HOH

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Components

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Protein , 1 types, 1 molecules A

#1: Protein PENTAETHYLENE GLYCOL / Polyethylene glycol / Alpha hydroxylase


Mass: 58169.344 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Strain: KR1 / Gene: Q00456, tmoA / Plasmid: p58kABE / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21
References: UniProt: Q6Q8Q7, UniProt: Q00456*PLUS, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of ...References: UniProt: Q6Q8Q7, UniProt: Q00456*PLUS, 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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Toluene-4-monooxygenase system protein ... , 3 types, 3 molecules BCE

#2: Protein Toluene-4-monooxygenase system protein E / Beta hydroxylase


Mass: 36176.645 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Strain: KR1 / Gene: Q00460, tmoE / Plasmid: p58kABE / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21
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 / Gamma hydroxylase


Mass: 9600.989 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Strain: KR1 / Gene: Q00457, tmoB / Plasmid: p58kABE / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21
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 / Effector


Mass: 11629.032 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Strain: KR1 / Gene: Q00459, tmoD / Plasmid: pCDtet / Production host: Escherichia coli (E. coli) / Strain (production host): Bl21(DE3)
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, 827 molecules

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


Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#6: Chemical ChemComp-PCR / P-CRESOL / P-Cresol


Mass: 108.138 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C7H8O
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 823 / 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: 2.23 Å3/Da / Density % sol: 44.85 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6
Details: 200 mM ammonium chloride, 24% PEG3350, 100 mM 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: 21-ID-F / Wavelength: 0.97872
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Dec 10, 2010 / Details: mirrors and beryllium lenses
RadiationMonochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 1.683→50 Å / Num. obs: 110851 / % possible obs: 95.2 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 14.7
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsDiffraction-ID% possible all
1.69-1.724.50.481175.6
1.72-1.755.20.442181.4
1.75-1.785.20.382187.8
1.78-1.825.20.344193.4
1.82-1.865.40.307196.1
1.86-1.95.50.265197.2
1.9-1.955.60.218197.8
1.95-25.60.184197.7
2-2.065.60.151197.6
2.06-2.135.60.124197.5
2.13-2.215.60.102197.3
2.21-2.295.60.088197
2.29-2.45.60.078196.8
2.4-2.525.60.071197
2.52-2.685.60.065197.4
2.68-2.895.70.067198.3
2.89-3.185.90.076199.4
3.18-3.646.50.078199.9
3.64-4.5970.051100
4.59-506.80.037197.9

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation1.9 Å38.7 Å
Translation1.9 Å38.7 Å

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
MOLREPphasing
PHENIXdev_713refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.75→38.703 Å / Occupancy max: 1 / Occupancy min: 0.01 / SU ML: 0.4 / σ(F): 1.33 / Phase error: 17.52 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1766 5060 5.02 %
Rwork0.1481 --
obs0.1496 100853 97.02 %
Solvent computationShrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 37.966 Å2 / ksol: 0.359 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-6.1729 Å2-0 Å2-0 Å2
2---1.5205 Å20 Å2
3----4.6524 Å2
Refinement stepCycle: LAST / Resolution: 1.75→38.703 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8035 0 18 823 8876
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0068346
X-RAY DIFFRACTIONf_angle_d1.01211339
X-RAY DIFFRACTIONf_dihedral_angle_d13.7013056
X-RAY DIFFRACTIONf_chiral_restr0.0731163
X-RAY DIFFRACTIONf_plane_restr0.0051483
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.75-1.81250.26044230.21548941X-RAY DIFFRACTION91
1.8125-1.88510.22645370.18219367X-RAY DIFFRACTION96
1.8851-1.97090.21265220.16169516X-RAY DIFFRACTION97
1.9709-2.07480.1944980.15389575X-RAY DIFFRACTION98
2.0748-2.20480.18884840.14659578X-RAY DIFFRACTION97
2.2048-2.3750.18765000.14429542X-RAY DIFFRACTION97
2.375-2.6140.19035140.14589532X-RAY DIFFRACTION97
2.614-2.99210.18785170.15399707X-RAY DIFFRACTION98
2.9921-3.76920.1565090.14589973X-RAY DIFFRACTION100
3.7692-38.71240.14595560.131810062X-RAY DIFFRACTION99
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)
10.4063-0.00950.01230.8616-0.37880.65110.0105-0.2172-0.00630.056-0.0223-0.07770.0146-0.11780.00480.1459-0.028-0.0080.2080.03390.1932-35.1447-9.906426.9679
20.249-0.05550.08190.7667-0.32330.82830.035-0.1350.02360.10090.02610.1185-0.0547-0.0413-0.04940.1413-0.01810.01210.1602-0.00130.16-25.741-8.31325.22
30.58520.61440.35741.0772-0.40471.6256-0.0470.1206-0.0943-0.168-0.0632-0.09860.14590.28970.06620.20740.01740.02930.15220.01360.1425-3.5783-6.4452-0.3873
40.54850.07110.08330.3846-0.26810.40160.0349-0.02920.0175-0.0916-0.0371-0.01910.15190.1106-0.00350.14730.02750.00190.0918-0.00030.0915-8.9499-14.534916.9152
53.7027-0.9691-2.02220.88210.78961.82610.048-0.04350.00730.0466-0.05870.02410.0301-0.02280.03340.12190.0177-0.0130.1533-0.00110.1202-9.0998-14.149636.3918
60.9023-0.4289-0.24480.72720.34330.6317-0.0591-0.0332-0.0303-0.0211-0.0944-0.02370.04250.06830.14350.10820.02670.0110.20520.00230.11792.8023-5.172425.8288
73.6432.0104-2.51251.5633-0.81053.19350.0201-0.14230.0850.1134-0.0641-0.0203-0.0857-0.00470.01750.14150.07580.01190.26860.01060.1113.552-11.050938.0216
80.52730.0870.02970.33280.11630.0404-0.00080.0139-0.0209-0.089-0.0453-0.16360.08370.1834-0.21580.13440.11510.06840.29820.06140.190618.7628-16.059220.8444
91.10770.1336-0.24380.28640.12830.29610.0235-0.0571-0.0469-0.1064-0.1009-0.09830.15080.15250.07710.16090.09390.02870.19830.03710.13545.3038-28.053233.061
100.06840.0166-0.04340.21920.08250.13630.05560.072-0.0244-0.1092-0.0315-0.1540.09460.08450.13010.35510.18040.05330.23490.01980.205510.5365-30.774113.6701
111.686-0.4366-0.71180.51590.28790.63190.01020.2021-0.3297-0.2254-0.10330.01290.25250.1449-0.00960.38010.0892-0.0040.1672-0.0320.1812-7.4749-27.3187-0.6491
120.30320.1550.09430.13980.24620.67890.02040.0052-0.1658-0.11080.03470.03710.19640.032-0.04490.31450.0089-0.04390.0910.00260.1854-18.296-33.464818.5063
131.8752-1.3030.12541.1721-0.33390.23840.04750.0133-0.036-0.04670.00610.06670.1033-0.0845-0.02430.1814-0.0332-0.01160.0953-0.00060.142-28.2345-7.93433.5522
144.82080.3091-0.98122.1178-0.2911.94340.01830.11460.3033-0.02790.08250.2249-0.1612-0.2506-0.07520.22360.0285-0.00190.22510.0330.1871-49.09435.85798.5896
150.608-0.34370.04920.8396-0.07650.56960.0365-0.0513-0.0647-0.03350.03670.12370.1168-0.1692-0.05440.118-0.0453-0.02060.11670.02520.1176-36.2612-13.191816.5059
160.1938-0.47290.30592.6709-1.11550.6812-0.0101-0.1959-0.01460.18570.04830.1355-0.0768-0.2055-0.01590.1293-0.01640.02660.27660.03560.1779-47.7742-3.683625.1497
170.5466-0.26480.07770.4429-0.07080.10670.031-0.0335-0.1527-0.06420.04420.13150.1382-0.1137-0.0080.207-0.1109-0.05360.16770.04950.206-40.8675-23.513817.7307
181.5615-1.274-0.33791.83410.22470.67280.03410.1423-0.0617-0.10230.00380.190.0637-0.2452-0.03260.1517-0.0742-0.06740.18840.03530.1902-45.9937-9.26585.6046
190.0343-0.1004-0.07010.32210.13190.34250.00950.0184-0.1988-0.02980.0120.03920.1687-0.05420.11260.315-0.0862-0.09030.1266-0.0040.2593-34.0534-34.32518.4607
202.901-0.89530.52634.743-0.5630.88550.00510.0224-0.1962-0.0214-0.02470.26050.0751-0.11780.01270.1853-0.1262-0.07110.30.08570.2882-52.1714-22.122617.721
211.2403-0.1118-0.10880.94010.11070.5047-0.0344-0.0115-0.17190.01740.0069-0.0780.10.08230.00290.18740.13720.06040.2660.05380.218817.1194-33.074131.4279
222.0114-0.8030.75920.3207-0.31170.62430.0295-0.0133-0.18570.04190.01190.05550.10130.0459-0.05820.37230.20140.05670.35480.110.454321.2825-45.496435.7483
233.3307-2.50120.80683.7168-0.31252.29750.04250.0767-0.0297-0.0385-0.0462-0.26470.09350.20020.00230.30250.19720.08570.39890.08280.399425.5999-39.026932.6996
240.619-0.72150.06791.70.06160.64520.02890.0984-0.0753-0.0489-0.0331-0.07360.00640.02660.00880.26760.18170.08520.39830.07430.325.017-31.906425.2713
250.0189-0.06750.13010.3783-0.48010.89920.02470.0229-0.03530.0289-0.0585-0.20450.04580.18720.04350.22670.16340.030.42810.10510.326728.9236-29.191632.3049
265.2566-2.50491.68334.507-0.34483.241-0.1088-0.22940.05890.28630.1040.1019-0.0958-0.2044-0.01540.29590.158-0.06310.38930.02840.219816.6802-29.713742.4986
273.3332-2.04390.60831.7435-0.61610.2815-0.1133-0.39090.19780.48850.1017-0.0024-0.0534-0.0284-0.00690.45930.141-0.07150.50370.10180.390422.2345-34.213246.7819
282.01521.18330.95913.5547-0.59531.28310.05080.0527-0.15170.0672-0.044-0.18170.03160.0953-0.02380.42030.1829-0.01110.42590.19010.484124.7081-43.612441.7351
292.0477-0.06422.20831.8063-1.48764.40090.0529-0.1286-0.19980.122-0.0281-0.08640.12740.0988-0.05080.39120.16910.06150.34380.11130.288113.9866-42.593941.1249
307.61881.1618-0.18413.09-0.39021.93750.0898-0.42250.24450.3475-0.1484-0.3429-0.14540.21340.01480.27610.1422-0.01260.41880.09170.282822.8743-30.801539.5847
311.9193-0.47811.12783.96270.39025.4036-0.0167-0.3652-0.04420.2997-0.0057-0.3822-0.00740.35430.02010.2121-0.0179-0.07130.3187-0.00010.22845.3241.475737.8607
322.77520.50440.84991.62171.76371.9527-0.0231-0.2332-0.03640.20830.0269-0.1403-0.03910.10920.00460.12490.0223-0.01670.1882-0.03390.1219-5.0237.108431.8849
331.4024-1.1768-0.8293.34571.33852.25170.02570.03550.1735-0.06460.0159-0.1299-0.27390.0954-0.04850.1486-0.0178-0.01390.1374-0.00660.1528-8.941713.316116.7833
345.0078-4.753-3.36567.0214.63964.7787-0.0792-0.23140.17620.21350.1719-0.1478-0.04260.1642-0.09960.2094-0.0429-0.02070.1844-0.02640.1712-1.050711.872722.9871
353.3123-2.2597-3.38083.55463.03576.92390.0188-0.09470.14250.06190.0112-0.0583-0.19350.1233-0.06520.1295-0.00820.00760.1343-0.01530.1246-4.07997.966222.4969
363.20460.43422.62951.4805-0.70745.6687-0.0325-0.070.0836-0.0210.04390.1135-0.144-0.1815-0.00620.16450.04940.00640.1386-0.01120.1653-17.357115.225219.0177
375.95832.60740.45491.6783-1.0033.5848-0.0143-0.0370.1303-0.03320.00150.1723-0.0838-0.07140.04870.20610.0133-0.00220.14480.00420.1691-17.671414.84699.759
380.9046-0.36240.34910.54180.11821.6510.02330.0049-0.0023-0.07910.00680.1288-0.0183-0.1125-0.0250.14340.00840.0060.1325-0.01410.1571-14.91963.613616.8493
392.1876-2.24092.38143.7866-2.83574.06160.0204-0.175-0.02220.03680.16470.3373-0.1126-0.4645-0.1410.17460.01420.0370.27180.04220.2087-20.73368.09224.597
402.40970.2970.74771.49090.34755.0085-0.026-0.2881-0.0440.27770.0354-0.03350.0086-0.0897-0.01350.16740.04380.00620.2214-0.03030.1289-12.44526.996834.6586
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 2:31)
2X-RAY DIFFRACTION2(chain A and resid 32:63)
3X-RAY DIFFRACTION3(chain A and resid 64:84)
4X-RAY DIFFRACTION4(chain A and resid 85:244)
5X-RAY DIFFRACTION5(chain A and resid 245:270)
6X-RAY DIFFRACTION6(chain A and resid 271:313)
7X-RAY DIFFRACTION7(chain A and resid 314:324)
8X-RAY DIFFRACTION8(chain A and resid 325:384)
9X-RAY DIFFRACTION9(chain A and resid 385:450)
10X-RAY DIFFRACTION10(chain A and resid 451:492)
11X-RAY DIFFRACTION11(chain B and resid 2:32)
12X-RAY DIFFRACTION12(chain B and resid 33:75)
13X-RAY DIFFRACTION13(chain B and resid 76:97)
14X-RAY DIFFRACTION14(chain B and resid 98:112)
15X-RAY DIFFRACTION15(chain B and resid 113:171)
16X-RAY DIFFRACTION16(chain B and resid 172:193)
17X-RAY DIFFRACTION17(chain B and resid 194:235)
18X-RAY DIFFRACTION18(chain B and resid 236:260)
19X-RAY DIFFRACTION19(chain B and resid 261:289)
20X-RAY DIFFRACTION20(chain B and resid 290:306)
21X-RAY DIFFRACTION21(chain C and resid 2:20)
22X-RAY DIFFRACTION22(chain C and resid 21:27)
23X-RAY DIFFRACTION23(chain C and resid 28:34)
24X-RAY DIFFRACTION24(chain C and resid 35:40)
25X-RAY DIFFRACTION25(chain C and resid 41:52)
26X-RAY DIFFRACTION26(chain C and resid 53:56)
27X-RAY DIFFRACTION27(chain C and resid 57:62)
28X-RAY DIFFRACTION28(chain C and resid 63:68)
29X-RAY DIFFRACTION29(chain C and resid 69:75)
30X-RAY DIFFRACTION30(chain C and resid 76:84)
31X-RAY DIFFRACTION31(chain E and resid 2:9)
32X-RAY DIFFRACTION32(chain E and resid 10:16)
33X-RAY DIFFRACTION33(chain E and resid 17:37)
34X-RAY DIFFRACTION34(chain E and resid 38:45)
35X-RAY DIFFRACTION35(chain E and resid 46:56)
36X-RAY DIFFRACTION36(chain E and resid 57:64)
37X-RAY DIFFRACTION37(chain E and resid 65:73)
38X-RAY DIFFRACTION38(chain E and resid 74:85)
39X-RAY DIFFRACTION39(chain E and resid 86:95)
40X-RAY DIFFRACTION40(chain E and resid 96:103)

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