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- PDB-6vxt: Activated Nitrogenase MoFe-protein from Azotobacter vinelandii -

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Basic information

Entry
Database: PDB / ID: 6vxt
TitleActivated Nitrogenase MoFe-protein from Azotobacter vinelandii
Components(Nitrogenase molybdenum-iron protein ...) x 2
KeywordsOXIDOREDUCTASE / Azotobacter vinelandii / MoFe-protein / Fe-protein / FeMo-cofactor / P-cluster
Function / homology
Function and homology information


molybdenum-iron nitrogenase complex / nitrogenase / : / nitrogenase activity / nitrogen fixation / iron-sulfur cluster binding / ATP binding / metal ion binding
Similarity search - Function
Nitrogenase Molybdenum-iron Protein, subunit B, domain 4 / Nitrogenase Molybdenum-iron Protein, subunit B; domain 4 / Nitrogenase molybdenum-iron protein beta chain, N-terminal / Domain of unknown function (DUF3364) / Nitrogenase molybdenum-iron protein alpha chain / Nitrogenase molybdenum-iron protein beta chain / Nitrogenase component 1, alpha chain / Nitrogenase component 1, conserved site / Nitrogenases component 1 alpha and beta subunits signature 2. / Nitrogenases component 1 alpha and beta subunits signature 1. ...Nitrogenase Molybdenum-iron Protein, subunit B, domain 4 / Nitrogenase Molybdenum-iron Protein, subunit B; domain 4 / Nitrogenase molybdenum-iron protein beta chain, N-terminal / Domain of unknown function (DUF3364) / Nitrogenase molybdenum-iron protein alpha chain / Nitrogenase molybdenum-iron protein beta chain / Nitrogenase component 1, alpha chain / Nitrogenase component 1, conserved site / Nitrogenases component 1 alpha and beta subunits signature 2. / Nitrogenases component 1 alpha and beta subunits signature 1. / Nitrogenase/oxidoreductase, component 1 / Nitrogenase component 1 type Oxidoreductase / Nitrogenase molybdenum iron protein domain / Up-down Bundle / Rossmann fold / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
FE(8)-S(7) CLUSTER / : / HYDROSULFURIC ACID / 3-HYDROXY-3-CARBOXY-ADIPIC ACID / Chem-ICS / MOLYBDENUM ATOM / Nitrogenase molybdenum-iron protein alpha chain / Nitrogenase molybdenum-iron protein beta chain
Similarity search - Component
Biological speciesAzotobacter vinelandii (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.74 Å
AuthorsKang, W. / Hu, Y. / Ribbe, M.W.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM67626 United States
Department of Energy (DOE, United States)DE-SC0016510 United States
CitationJournal: Science / Year: 2020
Title: Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Authors: Kang, W. / Lee, C.C. / Jasniewski, A.J. / Ribbe, M.W. / Hu, Y.
History
DepositionFeb 24, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 24, 2020Provider: repository / Type: Initial release
Revision 1.1Jul 1, 2020Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn
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_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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_conn.ptnr2_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Nitrogenase molybdenum-iron protein alpha chain
B: Nitrogenase molybdenum-iron protein beta chain
C: Nitrogenase molybdenum-iron protein alpha chain
D: Nitrogenase molybdenum-iron protein beta chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)234,72029
Polymers229,7984
Non-polymers4,92225
Water22,2311234
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35170 Å2
ΔGint-319 kcal/mol
Surface area55340 Å2
MethodPISA
Unit cell
Length a, b, c (Å)163.535, 203.435, 83.857
Angle α, β, γ (deg.)90.000, 103.945, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Components on special symmetry positions
IDModelComponents
11C-782-

HOH

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Components

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Nitrogenase molybdenum-iron protein ... , 2 types, 4 molecules ACBD

#1: Protein Nitrogenase molybdenum-iron protein alpha chain / Dinitrogenase / Nitrogenase component I


Mass: 55363.043 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Azotobacter vinelandii (bacteria) / References: UniProt: P07328, nitrogenase
#2: Protein Nitrogenase molybdenum-iron protein beta chain / Dinitrogenase / Nitrogenase component I


Mass: 59535.879 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Azotobacter vinelandii (bacteria) / References: UniProt: P07329, nitrogenase

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Non-polymers , 8 types, 1259 molecules

#3: Chemical ChemComp-HCA / 3-HYDROXY-3-CARBOXY-ADIPIC ACID


Mass: 206.150 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C7H10O7
#4: Chemical ChemComp-ICS / iron-sulfur-molybdenum cluster with interstitial carbon


Mass: 787.451 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CFe7MoS9 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-MO / MOLYBDENUM ATOM


Mass: 95.940 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: Mo
#6: Chemical ChemComp-H2S / HYDROSULFURIC ACID / HYDROGEN SULFIDE


Mass: 34.081 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H2S
#7: Chemical ChemComp-CLF / FE(8)-S(7) CLUSTER


Mass: 671.215 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe8S7 / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical ChemComp-FE / FE (III) ION


Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#9: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C3H8O3
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1234 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.95 Å3/Da / Density % sol: 58.24 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5
Details: 14-19 % w/v PEG smear high, 0.16 M ammonium acetate, 0.1 M sodium citrate(pH 5.0), 25.6 % v/v glycerol, 5 mM sodium dithionite

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 17, 2019
RadiationMonochromator: Liquid nitrogen-cooled double crystal Si(111)
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.73→50 Å / Num. obs: 263634 / % possible obs: 96.8 % / Redundancy: 6.1 % / Biso Wilson estimate: 32.39 Å2 / CC1/2: 0.989 / Rpim(I) all: 0.06 / Rrim(I) all: 0.15 / Net I/σ(I): 17.4
Reflection shellResolution: 1.73→1.76 Å / Redundancy: 4 % / Num. unique obs: 23896 / CC1/2: 0.322 / Rpim(I) all: 0.97 / % possible all: 71.9

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
Blu-Icedata collection
HKL-3000data reduction
HKL-3000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 3U7Q

3u7q


Resolution: 1.74→41.71 Å / SU ML: 0.2366 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.041
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2029 1983 0.76 %
Rwork0.1724 260058 -
obs0.1726 262041 96.1 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 44.19 Å2
Refinement stepCycle: LAST / Resolution: 1.74→41.71 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15617 0 148 1234 16999
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00716199
X-RAY DIFFRACTIONf_angle_d0.850722058
X-RAY DIFFRACTIONf_chiral_restr0.05282336
X-RAY DIFFRACTIONf_plane_restr0.00552818
X-RAY DIFFRACTIONf_dihedral_angle_d9.2842197
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.74-1.780.3866990.358113576X-RAY DIFFRACTION70.4
1.78-1.830.37871410.321618491X-RAY DIFFRACTION96
1.83-1.880.30161460.284319033X-RAY DIFFRACTION98.66
1.88-1.940.28891450.255718981X-RAY DIFFRACTION98.26
1.94-2.010.27181400.231418317X-RAY DIFFRACTION94.94
2.01-2.090.22651470.198419137X-RAY DIFFRACTION99.01
2.09-2.190.23591460.185119142X-RAY DIFFRACTION99.29
2.19-2.30.19321460.172519086X-RAY DIFFRACTION98.97
2.3-2.450.22071430.170518597X-RAY DIFFRACTION96.17
2.45-2.640.1931470.168519228X-RAY DIFFRACTION99.53
2.64-2.90.19791450.173119219X-RAY DIFFRACTION99.28
2.9-3.320.18631440.166518909X-RAY DIFFRACTION97.74
3.32-4.180.19211480.152319239X-RAY DIFFRACTION99.22
4.18-41.710.17671460.149119103X-RAY DIFFRACTION97.9
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)
14.57838824728-0.667726370764-0.02942610531063.717993220770.3288871328045.91455594428-0.126818263256-0.158766172254-0.4687209306880.2205425468010.0005556792177480.8419469424110.404163145856-0.3469577825120.0918264502390.424251132441-0.09056985079140.07307665753590.3000354242580.03287509839310.612434715996-62.74706202423.3492751857425.5170354459
20.6909213352070.589826114631-0.03127052459932.712778145430.02757501916770.639333098630.0198747855801-0.0674347058439-0.1580351787780.1161302686660.0121591959413-0.05720157410810.1944093900080.0412268922239-0.01874743825460.2559731108480.0177515715397-0.0002732126452380.223417096726-0.01178880825670.220629321993-38.884676898716.073809220217.6640323977
32.264585999831.090488236690.637571723224.590006469831.381099499072.43249092047-0.06146689983830.159252692351-0.172856737899-0.7351093043830.137298989366-0.463569129170.07593751301080.226059580869-0.08750691515410.532445093589-0.002585389736790.1276029773140.370840795222-0.0446904686010.318341756144-30.374777193822.0470454217-2.46266774025
40.8717934606930.03716699122930.01895923642621.60201233717-0.1460693323171.17598973171-0.01047863330210.0126349035912-0.1800088856480.04705216631850.0892160977253-0.4979073314750.1881957719930.256526474047-0.086023267090.3185080505830.0498422100767-0.02820946205830.3088280028-0.0681335676690.435256921769-24.919328923313.551256223718.3409754571
51.33517778783-0.276675984466-0.171441371332.318554498970.1811703054942.114875173690.0379921284722-0.118106504307-0.2628495062960.4418977222930.11163182592-0.3658884432380.3106354078160.156936977384-0.1777152934210.4252835750410.0633022361626-0.1010079808290.2844033061070.0057447722770.390207674811-28.52407404097.2800531805733.5552992041
63.69884151736-2.3240733433-0.3816680247222.82124120765-0.1076480505021.0750297613-0.575235219255-0.581436619692-0.05428789384731.033938529950.521328874056-0.2392357539240.1875647953830.1676948492260.04075889662660.8159944293330.099730196198-0.1007471208860.418421060351-0.01655294841890.295028698213-32.483281515821.282354170348.9027482137
71.80168008937-0.1830265459010.4958086536634.316440328480.8550614228982.99323637044-0.0553828589584-0.1508417773-0.1594730207530.4887548148480.1052798672650.1556039694550.156780823774-0.106871587238-0.04441099229870.4198914487480.003272097131880.05540351469020.2674693414380.04132820672640.307982603198-47.625386907414.202310251934.9099339532
85.63387375208-3.191980577452.040597310323.469944959160.2866159906833.35839576901-0.0641146693061-0.504330394188-0.2930384242560.6217159890570.09971620811250.1347011373850.553847862155-0.110935197625-0.04328031017930.561938107399-0.06371892702210.04420791317270.2916721549450.05017823931160.391200795101-49.38406068915.1598741301431.7841364175
90.252757309954-0.0174095980608-0.3611006879692.35979001320.06115782538211.22627605483-0.047202578677-0.0847157062576-0.1291626120930.2687897363980.05831745339170.4595610127180.142453409551-0.217180188948-0.001179414691340.36328434725-0.002890023068130.07519550020060.2969061483380.03004054353370.363422680808-53.195529802322.065166266728.9784414348
104.10562771526-2.541288932992.006387813123.15655566059-0.7786058078410.698415358053-0.193462210344-0.168457225777-0.09573697346040.6317279650370.1775461525350.297969107468-0.0153661700194-0.05358879510320.009049545703230.498306221850.04093342207590.1007103320990.330756387140.03360265566250.310634658-52.072416803530.671927209837.9515565878
111.11113836971-0.00291659461809-0.08770393265272.21255337198-0.4002524497091.10651389897-0.001575496746770.015933367312-0.02564473177390.03330356163910.0288338354941-0.557311852896-0.1054944510740.288604159335-0.03234760259810.2557323129080.00768029246585-0.005739552631290.312245974607-0.06281998668260.400963258494-23.667169806332.576749412218.6123606334
121.40611045090.04626001792820.5534287012893.278165439380.6903601440191.469704603840.0225449963390.0661113472349-0.203791391978-0.2410493116370.02558613530670.545794067920.25890965414-0.151191143362-0.04591139416570.260079420105-0.0369305717292-0.02771598992520.255913922315-0.01104593539820.287355685259-53.864439386120.5514181799.14349088518
130.388441611484-0.188417488363-0.03411766348342.04871611428-0.09437200964060.416549067280.03749878450630.127469361233-0.132622144797-0.547083025601-0.02261420286080.728457819610.0926139093372-0.163527868198-0.02298723601220.394301378146-0.0328947281526-0.1739672959580.373632319271-0.04281794346210.482217977278-63.419991350527.67063537630.394177086947
140.730276545104-0.3494389653290.3780125752582.058168858350.4417528652540.5216621240740.001162069114370.1697742817910.0100487227391-0.4477436497-0.04596716309380.332831183807-0.109109704105-0.08206947229430.04075156497740.41302449124-0.00626133150317-0.04855632228630.3415350485580.02911552302160.28562094775-53.950973691454.54373944161.81344431667
150.715209729543-0.273317491012-0.1141982472042.03592143466-0.06369502486261.06986225512-0.02133174924930.1607884319850.0252602202278-0.4478102460190.0553742802324-0.217568802078-0.07408912398650.113318761059-0.02950920639650.331409002282-0.02724276336470.04899274212170.293219232795-0.01658959020320.228862063507-37.950232898244.21838490445.47939001989
165.575651225432.066363757493.557273097443.082086850542.057036036243.199571917610.0926289142726-0.149211126769-0.1933818785870.1083125895130.0819731715163-0.2226888129270.0218745816481-0.0042471261188-0.1851248062080.2748266965280.0004826325935570.03082378352870.2479204087710.02593469685780.179209541913-40.019678228958.919025213518.2840121033
173.714307553881.3645330165-0.4308344745872.46701573599-0.08734809122461.17703367998-0.1228179458550.3374397290680.398682996853-0.370769009150.0906098382110.402587070086-0.321622294624-0.09167502920670.04336824009020.528116141080.0471711782205-0.08905593403150.3254428389690.09281041897070.441319520349-53.743292382298.76985567547.61221633546
180.948453251568-0.2964727588470.02557517093722.180199337360.1625258860370.337411437563-0.13558382134-0.1510664457490.1307778161780.5757826062540.122416589196-0.0532056717299-0.1631938803590.03366301640120.002777469826320.4617209654760.0270655507372-0.03201156294830.25221390291-0.01984834334230.244407101988-41.357524547879.377509047536.059866037
190.8004095926480.0313375521799-0.04453948856411.48581397962-0.2711344488040.571341429392-0.092154581248-0.1377636342250.1727611314410.4166327688470.0712576080779-0.43973120976-0.2380997840990.1788277550780.01111535500920.435922081917-0.0213564640773-0.1341769363270.309946007576-0.04197954705510.404303369326-28.74494192986.988674862631.9736200842
201.217929325220.5757023430260.6281131085181.947903231840.5814526009741.79331517801-0.1446334739850.1661386465820.13171572848-0.3408645885220.0932954809446-0.471851631412-0.2373555567810.2849619666670.03820803345010.426894002155-0.08335469322590.06412306292470.2932551004890.02887248027270.40734884159-23.393343145887.654809755110.7536903817
210.931869092578-0.00880673021752-0.09357151662852.661921334760.01467967253570.701525432866-0.02965948955870.1587804706580.112624539631-0.2868896942650.006080586492530.0930010719685-0.142824610447-0.01834595800150.02468309876950.406677040496-0.0134877945734-0.02136639054670.3018901849580.03578070143560.26558815947-45.088352163284.57209849688.08860656956
224.182428440086.09784789011.028724473047.769221641811.478413161920.20091877428-0.171797536929-0.236942444116-0.00983004106697-0.6108948229930.0870426460501-0.00926133707589-0.193634070087-0.05975864674610.1116127189250.477037741532-0.03023036570320.03603142393460.3490982436780.02692929792580.236263391298-43.469128719669.74819615461.73541758094
230.677713420560.0377687435250.1469534798021.86999472382-0.3302691586970.66700000566-0.0831781496684-0.1500368985590.023455610370.4053420925720.0229711705571-0.4710960947280.05536779545070.2285785766720.05742144286640.365832700573-0.00185297374153-0.126572237410.29238012533-0.03803225650120.376876323487-27.356428057368.050280416332.6421722459
241.22426398058-0.7441701992530.1059726392685.226462093030.411704489241.1376319088-0.0172164048715-0.04840443384140.2574089867590.195164873260.0008075765325860.495836379368-0.226014408071-0.1917408912640.0218325678170.2934361926590.03273798878240.0503425004860.2729838824890.004291690314510.330380679678-58.552901318379.747395350426.3590279994
251.94038800757-0.2934640112171.336833835172.35851770648-1.752146059943.82417310730.058687570348-0.0760062331040.08170291184410.2587050282410.2030224817020.808377431266-0.407499603048-0.246117406759-0.2463454730960.4248700959670.08682464145610.1102664689060.33631862617-0.001868922606930.574662005651-65.577860806588.031662646727.8983094064
260.28259742985-0.09710019571130.1110163847131.60968883576-0.1663479629850.253828245294-0.0584436301108-0.06310704772870.0566105959280.3829698727870.09332515398580.910169380627-0.096443925876-0.22273977713-0.02621831526940.3904085351050.06103547763860.1816267882860.3816292408070.00514425142870.683496999899-72.098083483669.250216695129.8661730909
270.533917697052-0.103962194048-0.3790735851622.155957870460.1403939788290.751679768722-0.0335434836952-0.0550080333916-0.03581598311570.5226473507210.01635304298690.5183625293490.0368110059444-0.1320695496980.02489837411990.3976681464690.001264374225150.1438676087340.2829491678330.02074964465450.330412747515-59.86238179747.333512119334.3772499243
281.134308505770.07084985944340.1011781042012.045269530680.005951653310780.884339324278-0.0356246597351-0.174494104273-0.04093597924580.5785504113130.06482811979170.0146893932203-0.05907965610620.0143127114333-0.02181770546720.3951215849680.03816937386210.02229237378140.2625889764010.002952904747760.216212252159-45.224842552856.495174368736.4278839403
296.5430186065-2.393248224-0.3742877975133.226321917240.6838944913920.715232973301-0.01387154980150.09389544777050.326482747180.1807820668330.0966079760756-0.161555092959-0.01733460057920.0515248078956-0.09067380366380.299413951903-0.01091521161240.0277443788820.2637287358640.03303991396090.188841205953-41.660939788341.562642259524.9198979804
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 5 through 34 )
2X-RAY DIFFRACTION2chain 'A' and (resid 35 through 111 )
3X-RAY DIFFRACTION3chain 'A' and (resid 112 through 141 )
4X-RAY DIFFRACTION4chain 'A' and (resid 142 through 275 )
5X-RAY DIFFRACTION5chain 'A' and (resid 276 through 317 )
6X-RAY DIFFRACTION6chain 'A' and (resid 318 through 346 )
7X-RAY DIFFRACTION7chain 'A' and (resid 347 through 383 )
8X-RAY DIFFRACTION8chain 'A' and (resid 384 through 405 )
9X-RAY DIFFRACTION9chain 'A' and (resid 406 through 451 )
10X-RAY DIFFRACTION10chain 'A' and (resid 452 through 480 )
11X-RAY DIFFRACTION11chain 'B' and (resid 2 through 70 )
12X-RAY DIFFRACTION12chain 'B' and (resid 71 through 127 )
13X-RAY DIFFRACTION13chain 'B' and (resid 128 through 320 )
14X-RAY DIFFRACTION14chain 'B' and (resid 321 through 385 )
15X-RAY DIFFRACTION15chain 'B' and (resid 386 through 485 )
16X-RAY DIFFRACTION16chain 'B' and (resid 486 through 523 )
17X-RAY DIFFRACTION17chain 'C' and (resid 4 through 49 )
18X-RAY DIFFRACTION18chain 'C' and (resid 50 through 141 )
19X-RAY DIFFRACTION19chain 'C' and (resid 142 through 275 )
20X-RAY DIFFRACTION20chain 'C' and (resid 276 through 346 )
21X-RAY DIFFRACTION21chain 'C' and (resid 347 through 451 )
22X-RAY DIFFRACTION22chain 'C' and (resid 452 through 480 )
23X-RAY DIFFRACTION23chain 'D' and (resid 2 through 70 )
24X-RAY DIFFRACTION24chain 'D' and (resid 71 through 127 )
25X-RAY DIFFRACTION25chain 'D' and (resid 128 through 161 )
26X-RAY DIFFRACTION26chain 'D' and (resid 162 through 320 )
27X-RAY DIFFRACTION27chain 'D' and (resid 321 through 399 )
28X-RAY DIFFRACTION28chain 'D' and (resid 400 through 485 )
29X-RAY DIFFRACTION29chain 'D' and (resid 486 through 523 )

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