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- PDB-8db1: Crystal structure of native DMATS1 prenyltransferase -

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Basic information

Entry
Database: PDB / ID: 8db1
TitleCrystal structure of native DMATS1 prenyltransferase
ComponentsDimethylallyltryptophan synthase 1
KeywordsTRANSFERASE / Prenyltransferase / fungal enzyme / DMATS
Function / homology
Function and homology information


4-O-dimethylallyl-L-tyrosine synthase / transferase activity, transferring alkyl or aryl (other than methyl) groups / Transferases; Transferring alkyl or aryl groups, other than methyl groups / alkaloid metabolic process
Similarity search - Function
Aromatic prenyltransferase DMATS-type, fungi / Aromatic prenyltransferase, DMATS-type / Tryptophan dimethylallyltransferase / Aromatic prenyltransferase
Similarity search - Domain/homology
TRYPTOPHAN / Dimethylallyltryptophan synthase 1
Similarity search - Component
Biological speciesFusarium fujikuroi (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.72 Å
AuthorsEaton, S.A. / Ronnebaum, T.A. / Roose, B.W. / Christianson, D.W.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM56838 United States
CitationJournal: Biochemistry / Year: 2022
Title: Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Authors: Eaton, S.A. / Ronnebaum, T.A. / Roose, B.W. / Christianson, D.W.
History
DepositionJun 14, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 28, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 5, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation_author.identifier_ORCID
Revision 1.2Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Dimethylallyltryptophan synthase 1
B: Dimethylallyltryptophan synthase 1
C: Dimethylallyltryptophan synthase 1
D: Dimethylallyltryptophan synthase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)189,5705
Polymers189,3654
Non-polymers2041
Water55831
1
A: Dimethylallyltryptophan synthase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)47,5462
Polymers47,3411
Non-polymers2041
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Dimethylallyltryptophan synthase 1


Theoretical massNumber of molelcules
Total (without water)47,3411
Polymers47,3411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)89.644, 107.211, 178.984
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11SERSERPROPRO(chain 'A' and (resid 11 through 24 or (resid 25...AA11 - 7111 - 71
12SERSERLEULEU(chain 'A' and (resid 11 through 24 or (resid 25...AA87 - 11087 - 110
13ASNASNPROPRO(chain 'A' and (resid 11 through 24 or (resid 25...AA123 - 156123 - 156
14THRTHRSERSER(chain 'A' and (resid 11 through 24 or (resid 25...AA172 - 211172 - 211
15LEULEULEULEU(chain 'A' and (resid 11 through 24 or (resid 25...AA216 - 294216 - 294
16SERSERVALVAL(chain 'A' and (resid 11 through 24 or (resid 25...AA314 - 322314 - 322
17GLNGLNPHEPHE(chain 'A' and (resid 11 through 24 or (resid 25...AA327 - 409327 - 409
21SERSERPROPRO(chain 'B' and (resid 11 through 24 or (resid 25...BB11 - 7111 - 71
22SERSERLEULEU(chain 'B' and (resid 11 through 24 or (resid 25...BB87 - 11087 - 110
23ASNASNPROPRO(chain 'B' and (resid 11 through 24 or (resid 25...BB123 - 156123 - 156
24THRTHRSERSER(chain 'B' and (resid 11 through 24 or (resid 25...BB172 - 211172 - 211
25LEULEULEULEU(chain 'B' and (resid 11 through 24 or (resid 25...BB216 - 294216 - 294
26SERSERVALVAL(chain 'B' and (resid 11 through 24 or (resid 25...BB314 - 322314 - 322
27GLNGLNPHEPHE(chain 'B' and (resid 11 through 24 or (resid 25...BB327 - 409327 - 409
31SERSERPROPRO(chain 'C' and (resid 11 through 24 or (resid 25...CC11 - 7111 - 71
32SERSERLEULEU(chain 'C' and (resid 11 through 24 or (resid 25...CC87 - 11087 - 110
33ASNASNPROPRO(chain 'C' and (resid 11 through 24 or (resid 25...CC123 - 156123 - 156
34THRTHRSERSER(chain 'C' and (resid 11 through 24 or (resid 25...CC172 - 211172 - 211
35LEULEULEULEU(chain 'C' and (resid 11 through 24 or (resid 25...CC216 - 294216 - 294
36SERSERVALVAL(chain 'C' and (resid 11 through 24 or (resid 25...CC314 - 322314 - 322
37GLNGLNPHEPHE(chain 'C' and (resid 11 through 24 or (resid 25...CC327 - 409327 - 409
41SERSERPROPRO(chain 'D' and (resid 11 through 49 or (resid 50...DD11 - 7111 - 71
42SERSERLEULEU(chain 'D' and (resid 11 through 49 or (resid 50...DD87 - 11087 - 110
43ASNASNPROPRO(chain 'D' and (resid 11 through 49 or (resid 50...DD123 - 156123 - 156
44THRTHRSERSER(chain 'D' and (resid 11 through 49 or (resid 50...DD172 - 211172 - 211
45LEULEULEULEU(chain 'D' and (resid 11 through 49 or (resid 50...DD216 - 294216 - 294
46SERSERVALVAL(chain 'D' and (resid 11 through 49 or (resid 50...DD314 - 322314 - 322
47GLNGLNPHEPHE(chain 'D' and (resid 11 through 49 or (resid 50...DD327 - 409327 - 409

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Components

#1: Protein
Dimethylallyltryptophan synthase 1 / DMATS 1 / DMATS1 biosynthesis cluster protein DMATS1


Mass: 47341.348 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Fusarium fujikuroi (fungus) / Gene: DMATS1 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: S0EH60, Transferases; Transferring alkyl or aryl groups, other than methyl groups
#2: Chemical ChemComp-TRP / TRYPTOPHAN


Type: L-peptide linking / Mass: 204.225 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C11H12N2O2 / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 31 / Source method: isolated from a natural source / Formula: H2O
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: 2.27 Å3/Da / Density % sol: 46 %
Crystal growTemperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 7.5 mg/mL protein, 0.1 M Tris-HCl (pH 8.0), 0.7 M NaCl, 24% (v/v) PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Dec 18, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.72→91.97 Å / Num. obs: 46996 / % possible obs: 99.7 % / Redundancy: 6.6 % / Biso Wilson estimate: 66.35 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.147 / Rpim(I) all: 0.062 / Net I/σ(I): 10
Reflection shellResolution: 2.72→2.82 Å / Redundancy: 6.3 % / Rmerge(I) obs: 1.29 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 4548 / CC1/2: 0.514 / Rpim(I) all: 0.561 / % possible all: 99.8

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Processing

Software
NameVersionClassification
XDSdata reduction
Aimlessdata scaling
PHASERphasing
PHENIX1.14_3260refinement
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Alphafold

Resolution: 2.72→91.97 Å / SU ML: 0.3742 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.3824 / Stereochemistry target values: CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2466 2000 4.27 %
Rwork0.2204 84905 -
obs0.2215 46881 99.09 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 67.16 Å2
Refinement stepCycle: LAST / Resolution: 2.72→91.97 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11009 0 15 31 11055
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.006411352
X-RAY DIFFRACTIONf_angle_d0.987315546
X-RAY DIFFRACTIONf_chiral_restr0.05851718
X-RAY DIFFRACTIONf_plane_restr0.00591985
X-RAY DIFFRACTIONf_dihedral_angle_d18.58223842
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.72-2.750.42311380.35523087X-RAY DIFFRACTION97.99
2.75-2.790.35351410.33133161X-RAY DIFFRACTION99.4
2.79-2.830.34781430.3193180X-RAY DIFFRACTION99.82
2.83-2.870.28381410.30253168X-RAY DIFFRACTION99.88
2.87-2.910.35211440.29363196X-RAY DIFFRACTION99.94
2.91-2.960.31631410.29733133X-RAY DIFFRACTION100
2.96-3.010.30881420.28843163X-RAY DIFFRACTION99.94
3.01-3.060.32291430.29173191X-RAY DIFFRACTION99.91
3.06-3.110.3191380.27283194X-RAY DIFFRACTION99.91
3.11-3.170.31121420.25853180X-RAY DIFFRACTION99.91
3.17-3.240.34811420.2693140X-RAY DIFFRACTION99.88
3.24-3.310.34491390.24943167X-RAY DIFFRACTION99.73
3.31-3.390.33841420.24883162X-RAY DIFFRACTION99.58
3.39-3.470.29011380.25133076X-RAY DIFFRACTION96.14
3.47-3.560.2881360.22523136X-RAY DIFFRACTION99.51
3.56-3.670.29241370.24813095X-RAY DIFFRACTION96.94
3.67-3.790.21561370.2253130X-RAY DIFFRACTION99.42
3.79-3.920.20831400.21723063X-RAY DIFFRACTION95.96
3.92-4.080.22411390.20163149X-RAY DIFFRACTION98.95
4.08-4.270.21641430.17683176X-RAY DIFFRACTION99.61
4.27-4.490.17491410.15743125X-RAY DIFFRACTION99.45
4.49-4.770.17751410.16163126X-RAY DIFFRACTION99.24
4.77-5.140.18041370.16873155X-RAY DIFFRACTION99.13
5.14-5.660.23341440.19353177X-RAY DIFFRACTION99.49
5.66-6.480.18031370.223141X-RAY DIFFRACTION99.24
6.48-8.160.25331370.21973145X-RAY DIFFRACTION98.65
8.16-91.970.23721420.21383089X-RAY DIFFRACTION97.79
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)
11.025878106440.004343571689180.4237755875451.03698626684-1.139419006-0.4291360000460.03047211496210.05192637141750.2259860756490.2249387819590.0662053689860.108361335647-0.1934383828970.005487883244243.13836144269E-80.323801175030.03571868258160.04705733741940.255646896150.02797146096750.21924444403921.69905580453.08076426981-14.4482192607
21.51607402145-0.688428502893-1.191676033520.755063381259-1.38421383289-1.92660504526-0.386068157237-0.0323819171446-0.244029118335-0.3777174859550.05122535963550.37069445809-1.230774077630.1885571527675.66491918676E-10-0.2464250598110.05758412773780.1301812713320.2652855430020.0356042282320.30125282170714.436168012-18.234881018-18.48080429
31.68824675673-0.173875848666-0.1764563712830.706329602436-0.160368407520.444652755062-0.119210648133-0.0832858765844-0.24218122573-0.0367092116061-0.0822919298278-0.0486143596055-0.009169061090270.187839987823-2.07386519849E-90.2194387995680.03122554581790.07770351483630.3075220586180.08204505583370.26664444811534.2402161941-20.9659994008-18.586062974
40.81721913754-1.195844997370.2246285417381.83362488031-0.3152750215630.4410871511040.04490352206810.168173442052-0.1494204625170.0242531475592-0.02496498047350.3313183384250.1482486353440.08769406657246.22275839405E-90.132064714528-0.04503531207230.002767964934720.229165781213-0.05625032988360.31194894559518.029635157838.3854417236-75.1013006391
50.00638820415948-0.258498159824-0.06064015628430.3507982483310.7300800138660.36350514668-0.008025869757590.161462875649-0.526156840580.3070166319140.02141454042240.40118615334-0.3923556245050.1367995872881.16559948511E-70.2710808327530.04287403029080.02959079950810.2828771598610.05823465126490.41330020085411.705309532451.1407301829-75.6296480944
60.8571667227810.2184598324230.3505207018560.1481559673810.428200889610.0658672257201-0.1713493457760.128761936920.1318731440540.0475792949215-0.3806053960060.230895540723-0.293200047785-0.1184123673068.6017248593E-90.3253722073610.00967022901930.02838181455560.299866179813-0.02066002435790.41476099191912.827082465164.1155698173-71.819316158
70.05588202792030.03728477170290.1518612879520.238268332205-0.1971502794970.139201245092-0.174879315009-0.2522704712430.6165783715180.06706566189520.165287028248-0.796602678198-0.284569940673-0.274289213885-1.89772943079E-80.448363336701-0.03059841015630.01625357519290.314052001343-0.05918710343870.80423712716533.008304650868.5853711954-68.1046548196
8-0.06246602411830.0270747439118-0.0586017333390.03633898212590.3634203734850.06588397611520.1823537530540.355397615529-0.702222737358-0.279908648155-0.4509979954280.144822475831-0.521272334747-0.4253329008293.91554604702E-70.4126695030690.09863456905820.0005824618689340.427137984611-0.03868539739750.56331204030820.667636342864.2965151024-70.2082246321
91.4143247749-0.204893218169-0.3745821544021.245005973460.08394327889030.500282055812-0.09470198900650.155952141939-0.02806995986250.06430745866710.182570242974-0.116082583605-0.1404271191720.0942654455117-7.83894550817E-90.222154974841-0.0487067303715-0.02096640077590.395487269903-0.05249528384690.25911713010134.764958153552.0945209729-72.7794876738
100.157864226722-0.2062908728950.3686397627970.2833327234180.0405021273940.09040158364920.1373471596150.152861428854-0.00635107550832-0.3322637519040.4590976537370.4173378371960.232237741268-0.137040836157-5.41736940157E-80.267319619194-0.06861927832760.0109871452250.3507637590280.2237130686560.34574164953610.639778464516.53329222-29.7477783219
11-0.1930720283490.1560733792610.1015660253420.3269026826420.03390975562290.2083203280840.4633090077790.370765540488-0.09717290576680.242603536133-0.207562356063-0.466941963356-0.588228448819-0.47082752202-2.84643855295E-70.3612182119160.00444522093720.08369778421950.4220200347450.09104907320920.3933576870320.32371736618.6230630269-26.4126571054
120.0191669969462-0.0890301207903-0.09009997508690.0208998421491-0.140701454021-0.0950527588123-0.084800992415-0.2306207641430.2015556860960.1084447453740.1989320463150.0248839504813-0.190155023004-0.0121477970861-1.31171629727E-60.4547953190760.1110506363160.1773593926510.4516091398590.1796472795540.46027652424712.053092912128.9106061339-30.3636956351
130.117695815285-0.2530620432330.243505104883-0.0656352257132-0.1818710658750.0708175207821.293080615230.325137175403-0.8995408085370.09051614411840.898096489587-1.238332612730.8129406214350.6450061647617.26627901278E-70.308002923633-0.143049172180.5578755918770.2216297738560.5019631125530.013812385713921.923736329129.9297305614-31.2018641865
140.8406629274460.9404877606080.1245151145010.4390375817050.4875772332790.2458703705750.0124082110934-0.00131969994685-0.04744047581290.571956587435-0.2029047087290.155827244748-0.05928697204450.2352159086781.19090260913E-70.806050613805-0.008827437542660.137316289260.2953325596860.05660219190290.27831617222118.584525006236.872290846-17.0095539853
150.365233974105-0.166606755437-0.1694650922710.1269772459560.3017117574130.08203954083881.311192413690.1567906142010.1867879478790.2398945704250.8265798212971.23591916969-0.568778677107-0.578780820567-1.33796501779E-71.64821340002-0.08034703862540.3426744325070.358596873159-0.22903946963-0.27007751495122.299776696151.3575948678-25.1175404008
16-0.08511308019030.01870978878890.01960805526950.0351300334851-0.0160299090940.0261974917131-0.4285809334550.4909980897570.849100082192-0.5769036890030.185364560636-0.0895725404619-0.2124999842490.221867349884-1.91892662834E-71.06863171198-0.1044997217190.1213999767280.5590615529030.0837025675270.73448474949628.506678186450.2602703625-43.1248916606
17-0.008195375279310.08892705122820.0387602346028-0.016388223934-0.0641239683553-0.02893989974470.691009863924-0.2552720477740.9080995104620.1380435297370.4791237203760.978435515203-0.1126032990720.7989432348262.27627020427E-71.33645603722-0.230194392670.06417082239480.4154820592750.492680252457-0.76596228636223.054155639448.6780301635-36.3629386838
180.03281121581290.0671069451101-0.04796724795030.422993999812-0.1435645672430.2700833887410.2261668216941.025910193830.575403327501-0.1902278938410.212794091633-0.0789137124005-1.05139542076-0.2238107326869.54900161802E-80.9775970858120.07959434989360.1281311908680.4274096290240.09017982957440.46840928886121.15691319939.0473921331-46.0214449941
190.03945067278610.11441071954-0.2421313337730.0451548578644-0.4203719429850.781337250770.1528225265740.0858092204510.0956693356646-0.1468344923860.03254076827140.04746788842340.03850310652830.0226220063772-1.47665963013E-70.542979779149-0.000846210639422-0.07195795541960.3926881629350.1178011226560.39257629089317.525488063131.2006020908-44.4056771497
20-0.0003243208580030.02797774217670.0492118470245-0.0363268138945-0.250115653050.0350183183605-0.0962654551385-0.185431844884-0.2183622181570.1968913593330.356005220870.287935598698-0.964858546773-0.1184512693053.6318316048E-70.5578065613390.08011850567560.08953097616840.5238157056460.21878143240.55790099785216.778166097134.8713763131-38.2989691273
21-0.0489200666309-0.4762011597320.5582693656050.954078718703-0.3224982647930.317263217529-0.07078589786960.04689945827650.366158807474-0.05814263085240.118092279412-0.03924138651470.0476241257012-0.05347862049556.00099856908E-80.1517086091040.01278772215330.03336987393410.1811214058460.08893386528110.24544130702416.50657135317.7149158095-64.1374034487
220.0214773481944-0.2662768449210.08064571531190.1027004404590.0781729969896-0.04722624808270.0421627813087-0.07143790620540.1171876827860.1856016813190.15012573020.2773542033140.200340136991-0.174826650809-5.24915367714E-80.405194149372-0.0352024853944-0.1295094434130.4170979751070.1329562971880.46756564474815.87374597015.66923717496-62.4522102564
230.1363119458-0.191522604409-0.2327026322780.4928999852140.01480871083450.091340707841-0.2351433962050.0104443473427-0.8669054638060.5801909564820.5031009932770.351725175240.4214557863120.008374731712183.05799028098E-70.507782115958-0.123189539334-0.311775214780.5044083863120.08713764797750.42162245190318.69077864162.20625528584-67.9929416204
240.719671779132-0.985497333376-0.3841605715530.440160830759-0.2582427008910.4600552854870.0481845489870.02531317654470.161340719573-0.353002286795-0.106303426050.07638498491480.2379405182370.07259152508761.70725260426E-80.517759746446-0.0219199460153-0.06718340318670.3195435009820.04468611124010.28527524906724.2663507825-1.57314672756-75.092355426
250.4222301210430.2115950666070.7807370812-0.004753730956380.2018211280430.5348237349990.2497425261470.208828425993-0.1310554668530.249138789332-0.1115774432130.1160340112340.380124605360.00248003419865-8.86198783523E-80.6811908955350.090481805145-0.08842453443290.2802732645540.01049641201680.34696788468229.7279407904-15.216689535-66.9652107281
260.243434754775-0.0733595280665-0.01514022695860.500144454135-0.05204715311970.1645253757890.1457729075610.101036336994-0.00904136244450.2056893174430.04354099380030.02063247122470.320363268271-0.00830839245854-5.07830251238E-80.8443919905290.0609413692894-0.113767128770.4734187024090.110365533850.47527826364532.3454555215-13.2085664445-51.479499376
270.316316065344-0.392005570854-0.3592538751470.696768891056-0.9306414014571.046585156970.0718139516831-0.117420863088-0.1375814220050.3929904024570.2024910566680.2010563727960.06335979381-0.03868167824713.08507399114E-80.5783948644840.001967167943250.02838490803420.5381162331230.1490804982380.39930169415521.59327812720.910859378593-48.3822976368
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 11 through 81 )
2X-RAY DIFFRACTION2chain 'A' and (resid 82 through 262 )
3X-RAY DIFFRACTION3chain 'A' and (resid 263 through 414 )
4X-RAY DIFFRACTION4chain 'B' and (resid 11 through 153 )
5X-RAY DIFFRACTION5chain 'B' and (resid 154 through 199 )
6X-RAY DIFFRACTION6chain 'B' and (resid 200 through 262 )
7X-RAY DIFFRACTION7chain 'B' and (resid 263 through 304 )
8X-RAY DIFFRACTION8chain 'B' and (resid 305 through 329 )
9X-RAY DIFFRACTION9chain 'B' and (resid 330 through 409 )
10X-RAY DIFFRACTION10chain 'C' and (resid 11 through 44 )
11X-RAY DIFFRACTION11chain 'C' and (resid 45 through 62 )
12X-RAY DIFFRACTION12chain 'C' and (resid 63 through 95 )
13X-RAY DIFFRACTION13chain 'C' and (resid 96 through 124 )
14X-RAY DIFFRACTION14chain 'C' and (resid 125 through 199 )
15X-RAY DIFFRACTION15chain 'C' and (resid 200 through 262 )
16X-RAY DIFFRACTION16chain 'C' and (resid 263 through 293 )
17X-RAY DIFFRACTION17chain 'C' and (resid 294 through 329 )
18X-RAY DIFFRACTION18chain 'C' and (resid 330 through 358 )
19X-RAY DIFFRACTION19chain 'C' and (resid 359 through 395 )
20X-RAY DIFFRACTION20chain 'C' and (resid 396 through 412 )
21X-RAY DIFFRACTION21chain 'D' and (resid 11 through 62 )
22X-RAY DIFFRACTION22chain 'D' and (resid 63 through 95 )
23X-RAY DIFFRACTION23chain 'D' and (resid 96 through 124 )
24X-RAY DIFFRACTION24chain 'D' and (resid 125 through 199 )
25X-RAY DIFFRACTION25chain 'D' and (resid 200 through 262 )
26X-RAY DIFFRACTION26chain 'D' and (resid 263 through 329 )
27X-RAY DIFFRACTION27chain 'D' and (resid 330 through 411 )

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