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- PDB-9pc5: Crystal structure of Rv0097 with 5 mM CADA soaked (CADA not bound) -

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Basic information

Entry
Database: PDB / ID: 9pc5
TitleCrystal structure of Rv0097 with 5 mM CADA soaked (CADA not bound)
Components(3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
KeywordsOXIDOREDUCTASE / non-heme iron enzyme / Fe(II)/alpha-ketoglutarate-dependent dioxygenases / isonitrile synthase
Function / homology
Function and homology information


(R)-3-[(carboxymethyl)amino]fatty acid dioxygenase/decarboxylase / dioxygenase activity / metal ion binding
Similarity search - Function
: / TauD/TfdA-like domain / Taurine catabolism dioxygenase TauD, TfdA family / Taurine dioxygenase TauD-like superfamily
Similarity search - Domain/homology
ACETATE ION / : / DI(HYDROXYETHYL)ETHER / (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
Similarity search - Component
Biological speciesMycobacterium tuberculosis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.74 Å
AuthorsYe, N. / Drennan, C.L.
Funding support United States, 2items
OrganizationGrant numberCountry
Howard Hughes Medical Institute (HHMI) United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35 GM126982 United States
Citation
Journal: Nat Commun / Year: 2026
Title: A highly dynamic mononuclear non-heme iron enzyme for the two-step isonitrile biosynthesis.
Authors: Ye, N. / Del Rio Flores, A. / Zhang, W. / Drennan, C.L.
#1: Journal: Acta Crystallogr D Struct Biol / Year: 2019
Title: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix.
Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty ...Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty / Robert D Oeffner / Billy K Poon / Michael G Prisant / Randy J Read / Jane S Richardson / David C Richardson / Massimo D Sammito / Oleg V Sobolev / Duncan H Stockwell / Thomas C Terwilliger / Alexandre G Urzhumtsev / Lizbeth L Videau / Christopher J Williams / Paul D Adams /
Abstract: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks.
History
DepositionJun 27, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 11, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
B: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
C: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
D: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)137,57915
Polymers136,8484
Non-polymers73111
Water15,979887
1
A: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
hetero molecules

C: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)68,7016
Polymers68,4242
Non-polymers2774
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation1_645x+1,y-1,z1
2
B: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
D: (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)68,8789
Polymers68,4242
Non-polymers4547
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)89.537, 63.780, 107.938
Angle α, β, γ (deg.)90.000, 98.002, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 3 or resid 5 through 31...
d_2ens_1(chain "B" and (resid 3 or resid 5 through 31...
d_3ens_1(chain "D" and (resid 3 or resid 5 through 31...

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11LEULEULEULEUAA33
d_12VALVALARGARGAA5 - 315 - 31
d_13ILEILETYRTYRAA33 - 3533 - 35
d_14ASNASNPROPROAA37 - 4937 - 49
d_15GLUGLUHISHISAA51 - 7251 - 72
d_16ASPASPVALVALAA74 - 8074 - 80
d_17SERSERMETMETAA82 - 11182 - 111
d_18LEULEUGLYGLYAA113 - 119113 - 119
d_19ASPASPARGARGAA121 - 160121 - 160
d_110SERSERGLNGLNAA162 - 195162 - 195
d_111ILEILEASPASPAA197 - 210197 - 210
d_112ASPASPILEILEAA212 - 250212 - 250
d_113LEULEULYSLYSAA252 - 263252 - 263
d_114ALAALAALAALAAA268 - 289268 - 289
d_115ACTACTACTACTAE401
d_21LEULEULEULEUBB33
d_22VALVALARGARGBB5 - 315 - 31
d_23ILEILETYRTYRBB33 - 3533 - 35
d_24ASNASNPROPROBB37 - 4937 - 49
d_25GLUGLUHISHISBB51 - 7251 - 72
d_26ASPASPVALVALBB74 - 8074 - 80
d_27SERSERMETMETBB82 - 11182 - 111
d_28LEULEUGLYGLYBB113 - 119113 - 119
d_29ASPASPARGARGBB121 - 160121 - 160
d_210SERSERGLNGLNBB162 - 195162 - 195
d_211ILEILEASPASPBB197 - 210197 - 210
d_212ASPASPILEILEBB212 - 250212 - 250
d_213LEULEULYSLYSBB252 - 263252 - 263
d_214ALAALAALAALABB268 - 289268 - 289
d_215ACTACTACTACTBG401
d_31LEULEULEULEUDD33
d_32VALVALARGARGDD5 - 315 - 31
d_33ILEILETYRTYRDD33 - 3533 - 35
d_34ASNASNPROPRODD37 - 4937 - 49
d_35GLUGLUHISHISDD51 - 7251 - 72
d_36ASPASPVALVALDD74 - 8074 - 80
d_37SERSERMETMETDD82 - 11182 - 111
d_38LEULEUGLYGLYDD113 - 119113 - 119
d_39ASPASPARGARGDD121 - 160121 - 160
d_310SERSERGLNGLNDD162 - 195162 - 195
d_311ILEILEASPASPDD197 - 210197 - 210
d_312ASPASPILEILEDD212 - 250212 - 250
d_313LEULEULYSLYSDD252 - 263252 - 263
d_314ALAALAALAALADD268 - 289268 - 289
d_315ACTACTACTACTDM402

NCS oper:
IDCodeMatrixVector
1given(-0.998321078381, -0.0169820827839, -0.0553771913658), (-0.0161788278985, 0.999757769588, -0.0149213831902), (0.0556171734905, -0.0140003933088, -0.99835400485)-7.54984774623, 30.4679125515, 53.2990581116
2given(0.994721694543, 0.0146936896889, 0.101552183087), (0.0231568677335, -0.996307998207, -0.0826688102289), (0.0999625424007, 0.0845840894685, -0.991389440092)-52.1475717161, -14.0648847783, 54.5346187527

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Components

#1: Protein
(3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase


Mass: 34211.984 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: H37Rv / Gene: Rv0097, MTCY251.16 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P9WG83, (R)-3-[(carboxymethyl)amino]fatty acid dioxygenase/decarboxylase
#2: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2H3O2
#3: Chemical
ChemComp-FE / FE (III) ION


Mass: 55.845 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Fe / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 887 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationN

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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: 295 K / Method: vapor diffusion, hanging drop / Details: 270 mM magnesium acetate, 16% w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.97946 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 9, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 1.74→50 Å / Num. obs: 792531 / % possible obs: 96.9 % / Redundancy: 6.6 % / Biso Wilson estimate: 23 Å2 / CC1/2: 0.999 / Net I/σ(I): 14.8
Reflection shellResolution: 1.74→1.85 Å / Num. unique obs: 124653 / CC1/2: 0.887

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.74→29.56 Å / SU ML: 0.2331 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.8038
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2345 5998 5.02 %
Rwork0.1962 113552 -
obs0.1982 119550 96.87 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 34.13 Å2
Refinement stepCycle: LAST / Resolution: 1.74→29.56 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9134 0 38 887 10059
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00629488
X-RAY DIFFRACTIONf_angle_d0.843712946
X-RAY DIFFRACTIONf_chiral_restr0.05731418
X-RAY DIFFRACTIONf_plane_restr0.00771681
X-RAY DIFFRACTIONf_dihedral_angle_d11.51953555
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.64745648252
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.562936164872
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.74-1.760.30151930.26713680X-RAY DIFFRACTION94.97
1.76-1.780.2851960.24763771X-RAY DIFFRACTION97.81
1.78-1.80.30152010.24773813X-RAY DIFFRACTION97.26
1.8-1.830.28231980.24353707X-RAY DIFFRACTION95.01
1.83-1.850.28621970.24073757X-RAY DIFFRACTION98.38
1.85-1.880.29062080.23263882X-RAY DIFFRACTION98.72
1.88-1.90.31751950.25273813X-RAY DIFFRACTION98.09
1.9-1.930.34522040.26873826X-RAY DIFFRACTION97.96
1.93-1.960.27292050.23843805X-RAY DIFFRACTION98.31
1.96-1.990.25941990.23163808X-RAY DIFFRACTION97.59
1.99-2.030.2741980.22953762X-RAY DIFFRACTION97.59
2.03-2.060.28252060.23743807X-RAY DIFFRACTION97.66
2.06-2.10.30321960.25113771X-RAY DIFFRACTION96.87
2.1-2.150.26361960.23243750X-RAY DIFFRACTION96.67
2.15-2.190.30651960.23443687X-RAY DIFFRACTION93.59
2.19-2.250.28481960.22493751X-RAY DIFFRACTION96.41
2.25-2.30.27051980.23313724X-RAY DIFFRACTION96.17
2.3-2.360.28912010.22523787X-RAY DIFFRACTION96.44
2.36-2.430.28961980.21873741X-RAY DIFFRACTION96.5
2.43-2.510.27611980.21783751X-RAY DIFFRACTION96.2
2.51-2.60.26371940.21353701X-RAY DIFFRACTION95.19
2.6-2.710.26621960.21033774X-RAY DIFFRACTION96.29
2.71-2.830.22711940.213685X-RAY DIFFRACTION94.06
2.83-2.980.25172030.21083793X-RAY DIFFRACTION96.48
2.98-3.160.24572040.19713800X-RAY DIFFRACTION97.09
3.16-3.410.20542020.1843815X-RAY DIFFRACTION97.24
3.41-3.750.22872030.17613856X-RAY DIFFRACTION98.02
3.75-4.290.17292030.15253817X-RAY DIFFRACTION96.66
4.29-5.40.1462070.13633930X-RAY DIFFRACTION98.88
5.4-29.560.1852130.15723988X-RAY DIFFRACTION98.18
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)
12.02818043220.159401349101-0.4816420999061.94087823444-0.4622186833011.96413639517-0.161443813953-0.3409407738310.2827750829950.0885417921278-0.04620902705790.2463721711250.03267743083980.03603176504410.181881339660.1450181402120.0201316347443-0.0206760085080.235524917748-0.06356337643840.533103734535-5.14183801425-12.94013143315.1783389209
23.54298088124-0.423968322840.8084935873231.039450440860.2431457268350.612302170908-0.260925182447-0.452614026439-0.7559231202370.05863438641970.2139264201160.2204280715790.0132268809155-0.05094497704330.0205407808920.1932212528230.04861400221940.05034232502740.2723695499490.08550407134150.5128323754049.70635833272-22.27620056346.23635010506
31.635660476870.535817825009-0.7100153120981.960131819250.167481116771.98591982387-0.120555388705-0.1622436480880.301235226597-0.211239043099-0.0132951431850.0328427545822-0.1259605479340.218847534510.1256209319120.1711994709710.0139424943501-0.06092000979530.2262953850440.000428158882330.4956658600861.59050714738-9.74084669295.51162947923
42.704701956480.7395395624380.2636144430541.737356171830.1938896561281.73750867764-0.3025724311780.42775658790.148179060235-0.1528549285860.0253574246673-0.860149431745-0.03715677619560.4474163323360.1720800426440.213636219643-0.0283964256937-0.005674477484580.3625248478620.07454033191860.718586135829-1.5371635002315.526201226732.9297718387
51.937994055950.66524390564-0.1161298934311.459524080650.323237575033.27314138588-0.0809291076264-0.141262428080.2981848558450.267720025057-0.124582677286-0.269774546961-0.274744783840.215379298280.1836542492850.299075365347-0.00632430593788-0.1719272449680.2959362335880.0453155116090.680053819031-6.4950040765921.106957931846.6195701116
63.321141219470.5111897087540.585305509031.48580109086-0.6404146121280.719228668655-0.0761919782231-0.181270547494-0.3248764782890.335329229953-0.0606369336503-0.48840798114-0.121468474250.1108244745440.08689803648650.258744426451-0.0222916604192-0.04016612807980.210210227209-0.001463325604630.360288435934-16.36073326588.3740757902749.1675303546
71.629032859260.3745272814050.4150221706691.667626849361.092468469513.54008791869-0.182138535934-0.151928116020.3373821028510.32746018127-0.221350234828-0.339239588247-0.243285319932-0.1521243341680.3764580768050.3314132319950.000907825462849-0.1964135457230.290658513703-0.00112690002340.656515482177-9.2121218916520.495464014248.3922107053
81.032077065250.5943981541580.580058992083.370874520791.526990053682.401111245460.153137295592-0.0217455189253-0.221741343660.1951999649060.064550720528-0.6304408194070.1662357136930.40523311481-0.2415538708180.1581471336790.0358927312332-0.02104915791130.2466946320420.02223047278550.334603577763-23.80129669128.432084505313.3518011841
91.829107769340.0142078568979-0.2012069466233.507052503251.385850539352.733884388590.0548024139218-0.2794787633420.06780133085570.315482085948-0.03953433596630.0906356525816-0.00187606050308-0.137989783139-0.01716753904210.1248535466430.00200595736543-0.02367316590960.1907759971180.01340488142710.112356459939-34.803976056838.407918300420.7151593803
100.371849663367-0.0790755451482-0.1126126026140.6455406669931.09648600712.551272854080.0241399095609-0.423283181176-0.03624251550330.188962062656-0.1061523101820.274918318538-0.0678235413675-0.225953507570.0554898812340.165495430167-0.02964699834630.04274166357480.284875128853-0.0001019428192220.173334489607-47.725946681931.972894497816.2785001048
111.603360413020.390967265652-0.2219677162163.081748163690.7332325169650.729892063891-0.004401542939130.00326890628546-0.183146526383-0.19086331846-0.03381636855550.0273524732657-0.086723743217-0.05812538703590.03891376417360.09811110359160.01565465333320.002068389481490.1552404045090.03050679733990.128623049434-41.951287498427.31239474796.04355314174
124.29494076199-1.17893722908-1.76399464781.798288377380.04823597628893.66333925628-0.291378895077-0.7546056683710.07980804436130.201939668520.1959171901410.269964164631-0.2688387549330.2161647231530.1415867709890.1716490132310.03849315570140.001643253333260.2824654195380.02396023424270.310301572063-60.743721222342.6562179118.62226911043
131.880069280930.145363673585-0.03902078364132.014267754570.5384532760481.64977928449-0.00659947540060.3865200547950.0605489241506-0.3229859438090.02122306249270.160826414662-0.0451798883576-0.163630613783-0.001485947680370.23379011915-0.0101827699487-0.02836189538150.2501273118890.02834609259750.121011401096-47.02855907635.2529314267-4.91485542069
141.891591315020.7497015585870.03135105556731.866753909160.3201303509510.719133423828-0.00399573146163-0.068912718257-0.1660287536860.032339733102-0.03595656112080.04160764357610.123040810806-0.1226602214950.03717942846840.1417798414020.01193957870070.01726136561880.1538818338090.01315640734370.137247997363-43.412123297527.12822749138.94557233746
150.626745463804-0.586115670708-0.5133264546611.79148768682-0.324943156752.653484645790.1446725762170.592123039494-0.142510614345-0.397864175612-0.153221658230.5015260852580.114345897148-0.574332245046-0.04117170446110.2325468083140.0224825367895-0.06250191499630.456245519569-0.02170706295980.20561718724-65.2880959537-4.4787274938332.4280720056
162.510023383690.08161687957-1.049501086991.752808232670.2492997923541.308632569970.05122549659350.5236968428680.20367554524-0.327081646978-0.00502146056252-0.106208806533-0.0449774698037-0.105280278638-0.03801149505330.220785085923-0.007564485358860.0271837457510.238930533650.01829421272050.142040206278-45.80497342323.3393952062432.726224061
171.68102191504-0.92904239505-0.8354386092681.492147391931.127736935752.528836137010.0008903732408290.158441106325-0.0319539805337-0.125856633046-0.07537794157840.0707988363207-0.0288552844508-0.002514727800140.06108228878510.1899222411670.007404446828070.02230895859860.1919278961140.02074429990380.104078411603-51.1349848546-1.9344230324638.1646610839
182.065093249470.27038000342-1.833685200193.62457671212-0.110957843975.178290693820.0015396322134-0.248925057179-0.03393008821360.44751428144-0.05190478305670.170231797306-0.03586286970610.1368937898690.04170689670050.1909988199160.01239770617320.02000600973970.1162583522750.01044028200060.116250711107-55.099012338-9.4059015831257.1074220902
193.008271398390.544585229512-2.258837471160.0926881765798-0.3003609744733.29572727137-0.03027773142620.2237312581610.08179761499950.004782881688380.0763193253453-0.109870776914-0.1158684862160.0030138865339-0.04813209771880.217844748649-0.008722872910430.02679722525090.181678801548-0.001449809576540.215731899571-36.80521061329.1761239732445.9671736241
202.40392217736-0.06846166378860.564141098211.820321532530.05095444821870.968396121977-0.0350956463797-0.169150093002-0.07278421847410.1451860134340.0615519969502-0.101812676463-0.0553717008817-0.064577867596-0.002579117894760.2106612204390.01287700670220.01764707810950.160474424681-0.003529429749740.131362181458-51.73775050782.8546331383958.3906428472
211.713060507490.817089636275-0.005982871326565.177395498753.124695343792.05247119253-0.00222761943951-0.0177999845386-0.02575832501060.1827164153160.0788879019478-0.2747912642970.1938341541870.0692640958158-0.07458803865850.2472197697280.02825573274110.01092762276520.1533821798160.04370037967520.152923326577-45.2749859702-11.47304678556.1947294739
221.327358334090.199360777405-0.1771744928431.24050043592-0.1520208737110.7978496324570.02444652467720.196010979979-0.0574869908838-0.0590361154287-0.007679810540.0247214896849-0.0232036890886-0.0427597303023-0.0248593265250.1735661269840.00503758812603-0.002795909499630.186868532673-0.002961436696230.0904185916747-53.3863394407-4.3232746171240.0208835941
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 2 through 147 )AA2 - 1471 - 146
22chain 'A' and (resid 148 through 195 )AA148 - 195147 - 194
33chain 'A' and (resid 196 through 289 )AA196 - 289195 - 288
44chain 'B' and (resid 3 through 97 )BC3 - 971 - 95
55chain 'B' and (resid 98 through 144 )BC98 - 14496 - 142
66chain 'B' and (resid 145 through 195 )BC145 - 195143 - 193
77chain 'B' and (resid 196 through 289 )BC196 - 289194 - 285
88chain 'C' and (resid 2 through 37 )CF2 - 371 - 36
99chain 'C' and (resid 38 through 78 )CF38 - 7837 - 77
1010chain 'C' and (resid 79 through 101 )CF79 - 10178 - 93
1111chain 'C' and (resid 102 through 144 )CF102 - 14494 - 136
1212chain 'C' and (resid 145 through 178 )CF145 - 178137 - 170
1313chain 'C' and (resid 179 through 217 )CF179 - 217171 - 209
1414chain 'C' and (resid 218 through 290 )CF218 - 290210 - 282
1515chain 'D' and (resid 2 through 59 )DH2 - 591 - 58
1616chain 'D' and (resid 60 through 97 )DH60 - 9759 - 96
1717chain 'D' and (resid 98 through 122 )DH98 - 12297 - 121
1818chain 'D' and (resid 123 through 144 )DH123 - 144122 - 143
1919chain 'D' and (resid 145 through 178 )DH145 - 178144 - 177
2020chain 'D' and (resid 179 through 217 )DH179 - 217178 - 216
2121chain 'D' and (resid 218 through 239 )DH218 - 239217 - 238
2222chain 'D' and (resid 240 through 290 )DH240 - 290239 - 289

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