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- PDB-7bgn: Crystal structure of MtHISN2-AMP complex, a bifunctional enzyme f... -

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Basic information

Entry
Database: PDB / ID: 7bgn
TitleCrystal structure of MtHISN2-AMP complex, a bifunctional enzyme from the histidine biosynthetic pathway
ComponentsPhosphoribosyl-AMP cyclohydrolase
KeywordsHYDROLASE / Histidine / Pyrophosphohydrolase / Cyclohydrolase / Bifunctional / PRA-CH / PRA-PH / AMP
Function / homology
Function and homology information


phosphoribosyl-AMP cyclohydrolase activity / phosphoribosyl-ATP diphosphatase activity / Hydrolases / L-histidine biosynthetic process / ATP binding
Similarity search - Function
Phosphoribosyl-AMP cyclohydrolase domain / Phosphoribosyl-AMP cyclohydrolase domain superfamily / Phosphoribosyl-AMP cyclohydrolase / Phosphoribosyl-ATP pyrophosphohydrolase / Phosphoribosyl-ATP pyrophosphohydrolase-like / Phosphoribosyl-ATP pyrophosphohydrolase
Similarity search - Domain/homology
ADENOSINE MONOPHOSPHATE / Histidine biosynthesis hisIE protein
Similarity search - Component
Biological speciesMedicago truncatula (barrel medic)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.7 Å
AuthorsWitek, W. / Ruszkowski, M.
Funding support Poland, 1items
OrganizationGrant numberCountry
Polish National Science CentreSONATA 2018/31/D/NZ1/03630 Poland
CitationJournal: Sci Rep / Year: 2021
Title: Structural and mechanistic insights into the bifunctional HISN2 enzyme catalyzing the second and third steps of histidine biosynthesis in plants.
Authors: Witek, W. / Sliwiak, J. / Ruszkowski, M.
History
DepositionJan 8, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 19, 2021Provider: repository / Type: Initial release
Revision 1.1May 15, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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: Phosphoribosyl-AMP cyclohydrolase
B: Phosphoribosyl-AMP cyclohydrolase
C: Phosphoribosyl-AMP cyclohydrolase
D: Phosphoribosyl-AMP cyclohydrolase
E: Phosphoribosyl-AMP cyclohydrolase
F: Phosphoribosyl-AMP cyclohydrolase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)165,35838
Polymers160,1526
Non-polymers5,20532
Water1,11762
1
A: Phosphoribosyl-AMP cyclohydrolase
B: Phosphoribosyl-AMP cyclohydrolase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,84312
Polymers53,3842
Non-polymers1,45810
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10180 Å2
ΔGint-293 kcal/mol
Surface area17580 Å2
MethodPISA
2
C: Phosphoribosyl-AMP cyclohydrolase
D: Phosphoribosyl-AMP cyclohydrolase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)55,25813
Polymers53,3842
Non-polymers1,87311
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10780 Å2
ΔGint-285 kcal/mol
Surface area17400 Å2
MethodPISA
3
E: Phosphoribosyl-AMP cyclohydrolase
F: Phosphoribosyl-AMP cyclohydrolase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)55,25813
Polymers53,3842
Non-polymers1,87311
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10850 Å2
ΔGint-297 kcal/mol
Surface area17620 Å2
MethodPISA
Unit cell
Length a, b, c (Å)200.892, 67.970, 134.237
Angle α, β, γ (deg.)90.000, 128.927, 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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61

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
11ALAALAASPASP(chain 'A' and (resid 48 through 156 or resid 166...AA48 - 1563 - 111
12ASNASNVALVAL(chain 'A' and (resid 48 through 156 or resid 166...AA166 - 187121 - 142
13SERSERPHEPHE(chain 'A' and (resid 48 through 156 or resid 166...AA195 - 264150 - 219
14HOHHOHHOHHOH(chain 'A' and (resid 48 through 156 or resid 166...AMA401
25ALAALAASPASP(chain 'B' and (resid 48 through 156 or resid 166...BB48 - 1563 - 111
26ASNASNVALVAL(chain 'B' and (resid 48 through 156 or resid 166...BB166 - 187121 - 142
27SERSERPHEPHE(chain 'B' and (resid 48 through 156 or resid 166...BB195 - 264150 - 219
28HOHHOHHOHHOH(chain 'B' and (resid 48 through 156 or resid 166...BNA401
39ALAALAASPASP(chain 'C' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))CC48 - 1563 - 111
310ASNASNVALVAL(chain 'C' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))CC166 - 187121 - 142
311SERSERPHEPHE(chain 'C' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))CC195 - 264150 - 219
312HOHHOHHOHHOH(chain 'C' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))COA401
413ALAALAASPASP(chain 'D' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))DD48 - 1563 - 111
414ASNASNVALVAL(chain 'D' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))DD166 - 187121 - 142
415SERSERPHEPHE(chain 'D' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))DD195 - 264150 - 219
416HOHHOHHOHHOH(chain 'D' and (resid 48 through 156 or resid 166 through 264 or resid 301 through 401))DPA401
517ALAALAASPASP(chain 'E' and (resid 48 through 264 or resid 301 through 401))EE48 - 1563 - 111
518ASNASNVALVAL(chain 'E' and (resid 48 through 264 or resid 301 through 401))EE166 - 187121 - 142
519SERSERPHEPHE(chain 'E' and (resid 48 through 264 or resid 301 through 401))EE195 - 264150 - 219
520HOHHOHHOHHOH(chain 'E' and (resid 48 through 264 or resid 301 through 401))EQA401
621ALAALAASPASP(chain 'F' and (resid 48 through 156 or resid 166...FF48 - 1563 - 111
622ASNASNVALVAL(chain 'F' and (resid 48 through 156 or resid 166...FF166 - 187121 - 142
623SERSERPHEPHE(chain 'F' and (resid 48 through 156 or resid 166...FF195 - 264150 - 219
624HOHHOHHOHHOH(chain 'F' and (resid 48 through 156 or resid 166...FRA401

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Components

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Protein , 1 types, 6 molecules ABCDEF

#1: Protein
Phosphoribosyl-AMP cyclohydrolase /


Mass: 26692.064 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: Without a signal peptide (residues 1-47) / Source: (gene. exp.) Medicago truncatula (barrel medic) / Gene: 25498966, MTR_7g084480, MtrunA17_Chr7g0252441 / Plasmid: pMCSG68
Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
References: UniProt: A0A072U2X9, phosphoribosyl-AMP cyclohydrolase, phosphoribosyl-ATP diphosphatase

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Non-polymers , 5 types, 94 molecules

#2: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 18 / Source method: obtained synthetically / Formula: Zn
#3: Chemical
ChemComp-AMP / ADENOSINE MONOPHOSPHATE / Adenosine monophosphate


Mass: 347.221 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C10H14N5O7P / Feature type: SUBJECT OF INVESTIGATION / Comment: AMP*YM
#4: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#5: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 62 / 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: 2.23 Å3/Da / Density % sol: 44.74 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 0.2 M potassium iodide, 20% Polyethylene glycol 3350, 10 mM MgCl2, 0.1 mM ZnCl2, and 20 mM AMP (added in 100 mM Hepes pH 7.5), 7.5% glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 13, 2018
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.7→48.45 Å / Num. obs: 33411 / % possible obs: 94.1 % / Redundancy: 3.9 % / Biso Wilson estimate: 57.24 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.091 / Net I/σ(I): 11.1
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2% possible all
7.83-48.453.50.0328.758480.99999.2
2.7-2.854.10.73267250.67555.8

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
XDSdata reduction
Cootmodel building
PHENIXAutobuildmodel building
AutoSolphasing
RefinementMethod to determine structure: SAD / Resolution: 2.7→39.07 Å / SU ML: 0.3726 / Cross valid method: FREE R-VALUE / Phase error: 28.2922
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2458 1010 3.02 %
Rwork0.1813 32395 -
obs0.1832 33405 81.99 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 61.85 Å2
Refinement stepCycle: LAST / Resolution: 2.7→39.07 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9658 0 284 62 10004
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.005910073
X-RAY DIFFRACTIONf_angle_d0.770913663
X-RAY DIFFRACTIONf_chiral_restr0.04881612
X-RAY DIFFRACTIONf_plane_restr0.00451699
X-RAY DIFFRACTIONf_dihedral_angle_d17.70353814
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.80.3826190.3395713X-RAY DIFFRACTION12.69
2.8-2.980.37921170.29313591X-RAY DIFFRACTION64.43
2.98-3.210.35351710.26175437X-RAY DIFFRACTION96.81
3.21-3.530.27161740.20675619X-RAY DIFFRACTION99.9
3.53-4.040.23281710.17555622X-RAY DIFFRACTION99.81
4.04-5.090.21091780.13715644X-RAY DIFFRACTION99.81
5.09-39.070.20731800.16515769X-RAY DIFFRACTION99.43
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)
12.84116491084-1.52127339173-0.2180687856023.250598853630.4586650678575.12065210944-0.065911193251.50634433332-0.573533815261-0.7364703964390.259379144917-0.935285198211-0.01244096419780.822403310449-0.1339610699920.539070170116-0.09274707353330.2012980782690.820901783854-0.2175124922050.687051164285-13.233185324532.49803813762.75777773164
28.439296185091.536221799950.6112147650034.398997714451.998619676047.69636095539-0.57708978890.690243556461-0.484269176945-0.4099749883410.531144813554-0.750045406682-0.05773421368630.954698399291-0.003622409730230.3925981913740.005297424996190.09100208161620.467339345535-0.02611035662470.632685021795-12.325068086534.07966103918.61125084723
37.699298623113.384576113660.5806852757262.15942978634-0.9702864780972.627130385350.0380993352124-0.2395459431740.714499089329-0.334872706310.06311733194350.0347871359235-0.3276836388430.163602902275-0.04583420774120.576039498867-0.06491850838030.1421632006630.357049338273-0.03066291771570.53349630274-23.08405151246.625297743616.1287475622
47.96122324928-0.182860817642-4.578604993186.960925724090.4621881171087.207323655130.152457318627-0.366395697531.424437356440.715540640592-0.21547753423-0.20026220773-1.06924202744-0.1257300664770.01056982591180.4769563996160.0750892025732-0.1137637357920.301973226172-0.09151993603150.527811484055-37.939315749642.893899819730.8271327094
54.88908432008-1.076125236651.141826465223.286200796381.079126369222.440701690770.0218912349626-0.375242212715-0.1963026861990.288341074908-0.2038161537810.1287703290750.191766170584-0.1557538106180.1817539102050.408682006634-0.0103089656920.06200279735580.2259558447330.06283691616580.321293161577-41.291459905828.347860319426.7510799562
63.224753176720.8508465318830.394365066324.5447597466-2.264509943843.43275450207-0.3356370226931.10212103020.40767104008-0.5494594571850.255064048954-0.0528396536747-0.4751606572320.3530830024530.125546417670.589032993835-0.128612911594-0.03591217835640.6063610928970.1006101473840.341790496654-28.659981344946.6556152488-0.0270039097896
76.61428647584-0.431921391485-0.528214461714.581090020331.083681937447.86581307720.5382062124860.425792090865-0.211941471555-0.6079219074420.350823316005-0.5801582771730.9276225831270.371692332103-0.8276496294040.640734075694-0.06983172871030.06204915211480.550624372513-0.215688297080.485387066566-27.040647635926.37514187970.850417530293
87.900581002030.888844919936-1.474709805042.023679651170.2521548743428.161267229310.1481848171870.658080037126-1.00659914025-0.5682086842960.31095164037-0.2432357533071.063962380780.173120657711-0.3657956611560.520282364031-0.00120626848835-0.006343408064640.272159023896-0.05714498711450.492858956075-37.081826520414.347980375315.4623213201
93.945320463710.3760419243540.9958004535495.386611089550.5846367373193.784408162070.106446847094-0.310694787145-0.4071808039840.4126173828790.09023821167990.01815643934320.39402105261-0.192145237525-0.1906550456510.2366510151980.02981313121460.03447024244370.2191082141980.05540864699160.284561980992-39.655017171824.829617780526.0954030939
103.48697685167-0.344360094072-0.5020491645670.7320314871321.385332352646.48491631205-0.0786697435628-0.439875487794-0.274567555610.2394349671640.0975115076040.1554487890460.0489538526168-0.643063784935-0.0169999906940.530291399911-0.01939798549290.01470438575040.3727954452260.1864289319550.578417437016-31.95191933750.82274860739543.1490328888
113.229281279041.722416737231.042409707621.021694675631.305319581214.89573015134-0.03325487436870.04312702770110.0586291769663-0.04678308860980.07506473788840.05117532109610.0828535086594-0.05787539735380.02566432101440.3638591628770.07264031956680.03062262492630.2431895213190.06967267552790.510751790867-25.85770687243.0324401166438.9528441748
120.187792806409-0.475018059951-0.3945653941042.472457215463.947638549847.38312441669-0.1791731630530.3394367571631.02554407317-0.5931697121560.0749661281537-0.441822964164-0.9868234646350.2969091466810.0906773904550.78059931385-0.0551934107764-0.07729964322590.4659387305450.2546050621720.686780206391-16.388780942816.016924897233.3611398828
132.7038109529-1.00005070319-0.4261778224186.41958974875-0.5937250272325.52442825629-0.04583356074950.521502802070.236136893331-0.7633311308010.153287850253-0.719171326884-0.1642900232720.592173578263-0.06488001729930.373381658968-0.2221759901060.03924055593150.486485075773-0.03965064881850.541977407587-0.527530289228-0.33635916556718.3284616601
140.672596977888-1.02475641809-0.244145815834.05290967468-2.80479011824.17269432554-0.170586711618-0.0388968198180.518805293774-0.0921169009611-0.0531365833125-0.455820605071-0.483874171710.5217784996290.3093800043620.453837894527-0.1539838749880.01639270313110.495707421638-0.07837997689750.497987780572-0.669349866547-2.6395281489523.1689168961
158.583216642921.17778481833-5.15321094272.948660583043.594482251529.65503239971-0.305364977130.5680375563170.134767480108-0.2531969226760.1210244559690.695847349323-0.201597792887-0.3862531952050.158110942790.305252876216-0.0202886678321-0.1073321913550.322898688320.06750232483110.429037513511-17.3778042088-7.0967251523523.5883501248
168.74975670911-1.9002596171.743416148765.043814715082.333627059826.83122158373-0.7237344191660.3510121758031.450589894480.9957395152980.359513022605-0.447765410577-1.418804634030.507820020460.2556058330140.786869562433-0.0654090562899-0.1675076715780.5061188614530.1791660921840.79903056828-20.891643824324.574840136446.3901252408
173.19563145304-2.60581329478-3.10479646372.498995038312.211163662439.172819177-0.0992410436283-0.702135701860.4939611714630.05477184909450.354254390524-0.619606488024-0.6396443398060.335533847274-0.063154531440.4740695785330.00285200637746-0.07359350144880.371730325584-0.0001571171031260.485334266027-14.392994558312.296774229946.2397452369
186.30757285283-2.47858705151.864372962245.492612348981.638118806955.06677278356-0.103062461185-0.3948658573430.1891332100380.7485325414350.3099921785840.144295283576-0.224113897784-1.13851081874-0.3039754802870.7903376399670.0841490896683-0.1803809789210.4720220503720.1257890417960.603152328933-13.326007507413.953271182855.1587518433
196.77584661855-0.7167053062781.142289065074.464240648231.010656526854.416468505770.1288732449240.1338052243940.154364788326-0.491741159192-0.0445746251072-0.469396483958-0.2882517241270.653980250897-0.04749503971070.436120835077-0.0816275905765-0.002354059177740.3268840750140.08024642954950.406752155017-11.984829042311.822473508444.4559886032
205.316040576870.483762191318-0.3358229573911.451152471782.493969519784.558980119990.29317918977-0.0853133043454-0.743085680061.782668742020.275984801351-0.3880967154740.3904596133770.581937292808-0.3430717429420.688328547370.08787514033840.07037681621670.4853105528370.1658653201340.68954525417-8.40540795351-0.39089290669151.6752379681
217.318548274062.11535302635-3.022027882941.64536920532-2.11857589585.69312607556-0.345211807339-0.762641210826-1.34643501842-0.193529037680.331556091606-0.399070752340.590961874398-0.445700432791-0.01631485975510.6143198381430.05116548163060.03406315717660.4544978733940.2412616308510.644781848684-19.4552104901-7.7173734257546.3874788425
229.595893769040.5430638071584.223278880944.35094254256-4.769878120567.67319404749-0.370415539972-1.26409541705-0.762007589124-0.02580906571520.8081726988390.3597108014250.385940568829-0.716348545622-0.4101861480470.4665863259790.03065640880250.04975275107590.3989475221180.09113195533870.615278998657-9.29933976367-14.922117789136.8677962825
232.77720194638-0.489472911117-2.518493829068.23175346232-1.715547213892.87365327808-0.474023359369-0.0895378088558-1.099826775-1.05638062022-0.221411710489-0.03153338992521.620812474890.524544949650.7478862953620.6196433506480.1522260391350.1184605429530.6675746393620.02885374044040.729565904084-4.25319407205-24.624806886330.3597677805
245.02614911944-0.9004007020741.328566250452.247158491440.2219476668254.82592369069-0.09415769559580.174705358945-0.810739385532-0.3979219709180.320987626494-0.2432722495850.3057401944680.0631865961864-0.245323290680.42434821893-0.1112242192020.01158979687580.319649679354-0.02263412806580.589213609821-6.26133319878-13.063698297718.5869883911
254.15204512932-2.64348785528-1.876490625779.662907691533.067925394213.90384662884-0.235466450922-0.342212965260.094487437494-0.3207399334440.24011887982-0.9922230884090.01665764929520.784140966462-0.02497768719440.344541717194-0.105651889453-0.04313485111770.482564865963-0.001753935953840.529490878187-0.403394136739-0.57272751734233.2268095442
262.86359606885-2.788725095180.4669728397647.645729775270.8067001843022.083244695520.2476876771660.673185627311-0.379903165058-0.225381634705-0.2967756165460.05004508508710.4139973626560.0480758327297-0.0006095117015010.384402697461-0.1531938311690.02975949200080.563870151851-0.2452623036340.47186589288929.7484515104-1.4122304931514.5831615024
274.22030781627-1.351589210424.285047284923.573195184220.3751168924375.523122233760.1675647469420.676733741043-0.71025504706-0.145327086381-0.4744617528971.031746476160.309643162421-0.3518283418480.2712277401710.332880792357-0.0876760478490.01809720978150.562503970391-0.1955902172510.51335745388424.05542667291.4478181931714.8921682891
284.63730012376-0.7901833021060.369852464265.744947223420.6992522318130.681048752124-0.106087711337-0.609143455039-0.3337181802350.437380865057-0.4745730707121.13162456957-0.0115788581375-0.4435316643650.5704719553940.402749871325-0.05351694164060.1805583860820.719152104807-0.1799503985490.68033150818716.146240390510.58045113432.9560745256
293.91517163958-0.337048282304-1.451328799682.98439818862-0.2424920347412.38032559369-0.0990542964404-0.492844318040.7196689487730.299433015545-0.1236709720230.431977492881-0.557468034916-0.3170428414470.1098965895240.4928959286470.1382977393990.02991185698470.510693619069-0.2006482085490.43020317386124.95085822632.890276416638.6386361535
300.9629754376461.78611502861-1.767903601999.018193475890.2488115698338.583870139480.248105610105-0.004751269912520.00639812614539-0.278531979427-0.5140849571180.320557723144-1.11988441682-0.1570615805790.3223537476860.3298897977210.0913890279391-0.2065061390070.510978510425-0.1048405837430.43252285477721.755330650323.650376932521.1039522822
316.421647997370.6063188691030.3001260101122.33407956059-0.6198734737493.03545309473-0.0155707483237-0.417111154584-1.049439185670.460120699574-0.1508521142550.2940183763840.480905088553-0.3531941224750.1362557579130.470800444311-0.0194500051840.1446869521990.396867421226-0.01013291479670.45545377955830.1172519304-3.3391484029635.9752643102
326.753859943480.2130274090451.875658719285.83429228121.356620646421.00202003004-0.009322198516420.7203428279110.510236944875-0.130042062474-0.331845100838-0.1038889691020.05463366538290.008749806357660.3280532197940.389837428061-0.07105396050310.1141297936480.5242678908950.03543619065330.33188961316239.96989055897.2933652174621.8067579956
332.922730078792.228543759110.6036485693335.37847387571-0.130311048746.83768451547-0.2632179490850.6120367152230.146637756376-0.923950798227-0.0933477132423-0.659647929623-0.5743410529120.5841766437740.4031720205440.4599216982330.04192633083490.003353398064620.4284085004180.07461500927420.47240638090441.900134871129.164271489120.0426236057
344.115072624240.285746907619-1.013201438235.14181761493-0.9113706698493.02930586716-0.006548104534850.3110920136720.4536327265840.0757372841634-0.2900444929570.410124156045-0.654735660968-0.4787936939370.2323146133660.3893491069790.0831959128612-0.07968637003120.404607393887-0.1784489233670.35495928646127.834903777831.641537063629.5082403345
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 48 through 93 )
2X-RAY DIFFRACTION2chain 'A' and (resid 94 through 137 )
3X-RAY DIFFRACTION3chain 'A' and (resid 138 through 171 )
4X-RAY DIFFRACTION4chain 'A' and (resid 172 through 203 )
5X-RAY DIFFRACTION5chain 'A' and (resid 204 through 264 )
6X-RAY DIFFRACTION6chain 'B' and (resid 47 through 137 )
7X-RAY DIFFRACTION7chain 'B' and (resid 138 through 171 )
8X-RAY DIFFRACTION8chain 'B' and (resid 172 through 203 )
9X-RAY DIFFRACTION9chain 'B' and (resid 204 through 264 )
10X-RAY DIFFRACTION10chain 'C' and (resid 47 through 124 )
11X-RAY DIFFRACTION11chain 'C' and (resid 125 through 147 )
12X-RAY DIFFRACTION12chain 'C' and (resid 148 through 171 )
13X-RAY DIFFRACTION13chain 'C' and (resid 172 through 227 )
14X-RAY DIFFRACTION14chain 'C' and (resid 228 through 248 )
15X-RAY DIFFRACTION15chain 'C' and (resid 249 through 264 )
16X-RAY DIFFRACTION16chain 'D' and (resid 47 through 62 )
17X-RAY DIFFRACTION17chain 'D' and (resid 63 through 93 )
18X-RAY DIFFRACTION18chain 'D' and (resid 94 through 108 )
19X-RAY DIFFRACTION19chain 'D' and (resid 109 through 137 )
20X-RAY DIFFRACTION20chain 'D' and (resid 138 through 147 )
21X-RAY DIFFRACTION21chain 'D' and (resid 148 through 171 )
22X-RAY DIFFRACTION22chain 'D' and (resid 172 through 186 )
23X-RAY DIFFRACTION23chain 'D' and (resid 187 through 203 )
24X-RAY DIFFRACTION24chain 'D' and (resid 204 through 248 )
25X-RAY DIFFRACTION25chain 'D' and (resid 249 through 264 )
26X-RAY DIFFRACTION26chain 'E' and (resid 47 through 93 )
27X-RAY DIFFRACTION27chain 'E' and (resid 94 through 137 )
28X-RAY DIFFRACTION28chain 'E' and (resid 138 through 186 )
29X-RAY DIFFRACTION29chain 'E' and (resid 187 through 248 )
30X-RAY DIFFRACTION30chain 'E' and (resid 249 through 264 )
31X-RAY DIFFRACTION31chain 'F' and (resid 47 through 137 )
32X-RAY DIFFRACTION32chain 'F' and (resid 138 through 171 )
33X-RAY DIFFRACTION33chain 'F' and (resid 172 through 203 )
34X-RAY DIFFRACTION34chain 'F' and (resid 204 through 264 )

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