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- PDB-5flv: Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region -

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Basic information

Entry
Database: PDB / ID: 5flv
TitleCrystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region
Components
  • 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
  • 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
  • HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
KeywordsTRANSCRIPTION
Function / homology
Function and homology information


: / Purkinje myocyte differentiation / right ventricular cardiac muscle tissue morphogenesis / septum secundum development / proepicardium development / pulmonary myocardium development / cardiac ventricle formation / apoptotic process involved in heart morphogenesis / atrioventricular node cell fate commitment / bundle of His development ...: / Purkinje myocyte differentiation / right ventricular cardiac muscle tissue morphogenesis / septum secundum development / proepicardium development / pulmonary myocardium development / cardiac ventricle formation / apoptotic process involved in heart morphogenesis / atrioventricular node cell fate commitment / bundle of His development / atrial cardiac muscle cell development / ventricular cardiac myofibril assembly / atrioventricular node cell development / embryonic heart tube left/right pattern formation / positive regulation of cardioblast differentiation / atrial cardiac muscle tissue development / atrioventricular node development / ventricular cardiac muscle cell development / regulation of cardiac muscle cell proliferation / atrial septum morphogenesis / positive regulation of heart contraction / cardiac ventricle morphogenesis / negative regulation of myotube differentiation / circulatory system development / cardiac conduction system development / endoderm development / pharyngeal system development / cardiac muscle cell differentiation / positive regulation of sodium ion transport / outflow tract septum morphogenesis / cardiac muscle tissue morphogenesis / ventricular trabecula myocardium morphogenesis / heart trabecula formation / adult heart development / embryonic heart tube development / cardiac muscle tissue development / cardiac muscle cell development / negative regulation of cardiac muscle cell apoptotic process / sarcomere organization / cardiac muscle cell proliferation / tongue development / DNA-binding transcription activator activity / ventricular septum morphogenesis / heart contraction / heart looping / outflow tract morphogenesis / thyroid gland development / hemopoiesis / transcription factor binding / regulation of cardiac conduction / positive regulation of transcription initiation by RNA polymerase II / regulation of cardiac muscle contraction / vasculogenesis / heart morphogenesis / cardiac muscle contraction / spleen development / positive regulation of neuron differentiation / protein-DNA complex / negative regulation of canonical Wnt signaling pathway / RNA polymerase II transcription regulator complex / histone deacetylase binding / sequence-specific double-stranded DNA binding / heart development / DNA-binding transcription activator activity, RNA polymerase II-specific / transcription regulator complex / sequence-specific DNA binding / cell differentiation / transcription cis-regulatory region binding / DNA-binding transcription factor activity, RNA polymerase II-specific / RNA polymerase II cis-regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / chromatin binding / positive regulation of cell population proliferation / positive regulation of gene expression / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / negative regulation of transcription by RNA polymerase II / protein homodimerization activity / positive regulation of transcription by RNA polymerase II / protein-containing complex / DNA binding / identical protein binding / nucleus / cytoplasm
Similarity search - Function
Homeobox protein NKX-2.5 / Transcription factor, T-box / T-box / Homeobox domain, metazoa / Homeobox, conserved site / 'Homeobox' domain signature. / Homeodomain / 'Homeobox' domain profile. / Homeodomain / Homeobox domain ...Homeobox protein NKX-2.5 / Transcription factor, T-box / T-box / Homeobox domain, metazoa / Homeobox, conserved site / 'Homeobox' domain signature. / Homeodomain / 'Homeobox' domain profile. / Homeodomain / Homeobox domain / Homeodomain-like / Homeobox-like domain superfamily / Arc Repressor Mutant, subunit A / Immunoglobulin-like / Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
DNA / DNA (> 10) / Homeobox protein Nkx-2.5
Similarity search - Component
Biological speciesMUS MUSCULUS (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.005 Å
AuthorsStirnimann, C.U. / Glatt, S. / Mueller, C.W.
CitationJournal: Cell(Cambridge,Mass.) / Year: 2016
Title: Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis.
Authors: Luna-Zurita, L. / Stirnimann, C.U. / Glatt, S. / Kaynak, B.L. / Thomas, S. / Baudin, F. / Samee, M.A.H. / He, D. / Small, E.M. / Mileikovsky, M. / Nagy, A. / Holloway, A.K. / Pollard, K.S. / ...Authors: Luna-Zurita, L. / Stirnimann, C.U. / Glatt, S. / Kaynak, B.L. / Thomas, S. / Baudin, F. / Samee, M.A.H. / He, D. / Small, E.M. / Mileikovsky, M. / Nagy, A. / Holloway, A.K. / Pollard, K.S. / Muller, C.W. / Bruneau, B.G.
History
DepositionOct 28, 2015Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 10, 2016Provider: repository / Type: Initial release
Revision 1.1Aug 17, 2016Group: Database references
Revision 1.2Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
B: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
C: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
E: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
F: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
G: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
I: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
J: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
K: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
M: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
N: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
O: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)186,19114
Polymers185,80212
Non-polymers3882
Water0
1
A: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
B: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
C: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'
hetero molecules


Theoretical massNumber of molelcules
Total (without water)46,8395
Polymers46,4513
Non-polymers3882
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10790 Å2
ΔGint-7.8 kcal/mol
Surface area22450 Å2
MethodPQS
2
E: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
F: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
G: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'


Theoretical massNumber of molelcules
Total (without water)46,4513
Polymers46,4513
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10180 Å2
ΔGint-8.8 kcal/mol
Surface area22010 Å2
MethodPQS
3
I: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
J: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
K: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'


Theoretical massNumber of molelcules
Total (without water)46,4513
Polymers46,4513
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9980 Å2
ΔGint-6.2 kcal/mol
Surface area22160 Å2
MethodPQS
4
M: HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5
N: 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'
O: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'


Theoretical massNumber of molelcules
Total (without water)46,4513
Polymers46,4513
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10830 Å2
ΔGint-11 kcal/mol
Surface area22950 Å2
MethodPQS
Unit cell
Length a, b, c (Å)58.080, 158.620, 87.860
Angle α, β, γ (deg.)90.00, 89.95, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
22
33
44
/ NCS ensembles :
ID
1
2
3
4

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Components

#1: Protein
HOMEOBOX PROTEIN NKX-2.5, T-BOX TRANSCRIPTION FACTOR TBX5 / / CARDIAC-SPECIFIC HOMEOBOX / HOMEOBOX PROTEIN CSX / HOMEOBOX PROTEIN NK-2 HOMOLOG E / T-BOX PROTEIN 5


Mass: 32947.793 Da / Num. of mol.: 4
Fragment: DNA BINDING DOMAINS OF TBX5 AND NKX2-5, UNP RESIDUES 134-197 AND 51-251
Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) MUS MUSCULUS (house mouse) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD / References: UniProt: P42582
#2: DNA chain
5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3'


Mass: 6693.327 Da / Num. of mol.: 4 / Fragment: SENSE STRAND - NPPA / Source method: obtained synthetically / Source: (synth.) MUS MUSCULUS (house mouse)
#3: DNA chain
5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3'


Mass: 6809.431 Da / Num. of mol.: 4 / Fragment: ANTISENSE STRAND - NPPA / Source method: obtained synthetically / Source: (synth.) MUS MUSCULUS (house mouse)
#4: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol


Mass: 194.226 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
Sequence detailsPROTEIN FUSION OF MNKX2-5(AA134-197,UNIPROT-P42582)AND MTBX5(AA51-251, UNIPROT-P70326) USING A ...PROTEIN FUSION OF MNKX2-5(AA134-197,UNIPROT-P42582)AND MTBX5(AA51-251, UNIPROT-P70326) USING A 15SER LINKER AND ALL CYSTEINE RESIDUES MUTATED TO SERINE RESIDUES MUTATION CYS TO SER

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.18 Å3/Da / Density % sol: 43.53 % / Description: NONE
Crystal growDetails: 0.1M HEPES PH7.5 0.1 M KBR, 0.2M NA-ACETATE AND 20 % PEG 3000

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.97488
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 11, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97488 Å / Relative weight: 1
Reflection twinOperator: h,-k,-l / Fraction: 0.57
ReflectionResolution: 3→50 Å / Num. obs: 31026 / % possible obs: 97.9 % / Observed criterion σ(I): 2 / Redundancy: 3.7 % / Rmerge(I) obs: 0.12
Reflection shellResolution: 3→3.08 Å / Redundancy: 3.4 % / Rmerge(I) obs: 1.42 / Mean I/σ(I) obs: 0.95 / % possible all: 91.3

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
XDSdata reduction
XSCALEdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2X6V

2x6v


Resolution: 3.005→19.966 Å / σ(F): 1.37 / Phase error: 38.18 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.241 1094 3.5 %
Rwork0.1904 --
obs0.196 30939 98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.005→19.966 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7550 3459 26 0 11035
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00411652
X-RAY DIFFRACTIONf_angle_d0.7516431
X-RAY DIFFRACTIONf_dihedral_angle_d22.2144615
X-RAY DIFFRACTIONf_chiral_restr0.0321788
X-RAY DIFFRACTIONf_plane_restr0.0041483
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.0073-3.14340.34861320.34743589X-RAY DIFFRACTION92
3.1434-3.30810.29951310.24773745X-RAY DIFFRACTION95
3.3081-3.51380.28311370.22633731X-RAY DIFFRACTION95
3.5138-3.78260.2561260.21593724X-RAY DIFFRACTION95
3.7826-4.15860.23131360.19553752X-RAY DIFFRACTION95
4.1586-4.74980.22961320.17193740X-RAY DIFFRACTION95
4.7498-5.94510.22161370.16593760X-RAY DIFFRACTION96
5.9451-17.50870.20521450.16263756X-RAY DIFFRACTION94
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)
18.02380.9455-2.11321.50370.79834.8704-0.0049-0.32921.57810.35370.32630.393-0.87290.1291-0.29870.6821-0.02720.23780.5089-0.03770.81791.993433.434810.2212
25.7934-1.99652.64322.5376-0.57921.26920.50860.10670.03180.033-0.11370.0236-0.2874-0.1244-0.33620.40850.05110.1640.40050.04270.86149.71522.71337.7396
33.37570.05140.27122.2861-0.47630.826-0.0150.0740.1050.1527-0.08670.47820.0534-0.2133-0.0857-0.18120.0963-0.07111.0104-0.16480.8457-6.633121.82076.7786
40.7820.47882.0430.32781.21295.722-0.32140.33211.1514-0.0428-0.05110.9031-1.57430.89020.28130.8364-0.15190.1490.91080.40321.141813.873938.4573-7.4179
51.6241-0.13340.15321.7057-0.7122.2180.18090.79280.7306-0.1516-0.2191-0.4577-0.24040.49030.06860.1257-0.0907-0.18771.01950.05941.05165.432221.8604-10.8908
60.4594-0.1311-0.30050.4795-0.11860.56660.0419-0.0361-0.05440.41270.08270.1066-0.11110.0135-0.0889-0.17260.10790.0840.62720.0790.76250.877218.28986.6912
72.72591.0560.37620.61740.4150.42370.0341-0.1011-0.0118-0.0371-0.21540.1454-0.1031-0.38470.05570.5116-0.06180.1160.72010.1050.6359-2.969226.96844.4046
81.3069-1.2840.49461.7734-1.32521.58470.2105-0.12450.51950.0877-0.1139-0.2-0.49590.2901-0.08570.6668-0.19420.14690.59790.02170.967317.224834.23085.3797
93.48133.44771.47674.24480.08742.90380.42350.17450.9129-0.0679-0.3606-0.4569-0.57550.85280.1420.4645-0.22150.14110.946-0.11380.964618.868130.368916.9108
100.02460.0170.05340.02290.03440.1105-0.225-0.0686-0.04630.17670.1623-0.2242-0.15680.3944-0.04790.5286-0.0010.10790.79590.11660.92917.10572.66324.152
112.8519-0.8531-1.26170.8471-0.41884.3828-0.2161-0.1322-0.41620.29850.40530.3858-0.3119-0.8122-0.03350.1893-0.00210.07510.91760.09380.84470.09570.952125.3483
125.40441.54433.67432.9705-1.00384.1616-0.1128-0.5494-0.22010.1398-0.06590.5964-0.0848-0.41510.02550.39790.1297-0.07470.54910.14271.10074.8988-8.022829.5082
139.0154-0.7163-2.7485.5120.86693.0847-0.1666-1.4058-0.05661.0210.27581.0381-0.1345-0.11130.00720.40030.07390.0931.05250.06090.57775.89654.241432.3131
140.0518-0.04270.13380.0419-0.11650.2762-0.03850.2571-0.1762-0.0965-0.25480.4319-0.0086-0.2343-0.22210.1368-0.3279-0.27341.11020.00970.9523-19.8534-2.5556-6.3253
150.2954-0.22090.08730.2052-0.04190.1066-0.06440.13520.238-0.1067-0.10570.0724-0.2358-0.1730.1273-0.3193-0.0895-0.3390.99820.13660.8649-10.10256.6073-6.1744
162.7244-1.2063-2.03525.46170.25481.67670.1482-0.5384-0.1280.0939-0.1288-0.8514-0.11380.24380.05110.1562-0.35350.23471.4218-0.09781.1683-19.1061-9.92712.9225
171.6526-0.14220.32410.75630.88891.21030.1782-0.1408-0.11370.099-0.13870.43940.1316-0.85830.0113-0.01390.1128-0.00930.7665-0.01441.0527-8.85366.03770.0852
183.2111-0.90721.42431.1199-0.33950.63460.02780.44920.1104-0.2116-0.08020.2321-0.02240.07350.2039-0.0142-0.2152-0.1771.1007-0.03610.6614-7.23672.5122-8.9564
190.8679-0.42380.35420.7958-0.69681.0053-0.23810.0886-0.0963-0.0508-0.17850.2356-0.1294-0.3264-0.2781-0.1763-0.16380.02330.95690.05930.6569-6.97862.43274.7978
200.24290.0737-0.04310.3456-0.2340.16510.20240.12890.0985-0.08780.16310.0927-0.0697-0.2211-0.0202-0.1066-0.18790.12711.12310.31230.9619-17.28563.4194-0.3314
211.3103-0.6346-0.22421.9077-0.43151.72210.073-0.0931-0.09930.11330.02440.03210.0969-0.1144-0.05780.3774-0.4079-0.16431.0274-0.0811.1608-14.66-16.0055-0.6241
220.640.46810.5640.68110.69450.73160.01180.2068-0.2573-0.0708-0.0652-0.00780.0876-0.1178-0.18890.3669-0.3611-0.16710.95660.05120.8867-9.5416-15.9343-11.5443
237.4758-0.26971.43952.2702-1.42861.11090.13010.1012-0.0269-0.00270.02540.2453-0.0360.1034-0.0730.0827-0.02410.08731.0747-0.27010.885410.85668.2501-17.2908
248.4104-1.9579-4.96885.04194.26815.04880.19190.66190.4435-1.61410.4195-0.3364-1.29740.1825-0.61621.0145-0.0652-0.05220.56510.18330.74555.994315.8032-26.1698
258.67962.5843.40055.63061.45017.63070.35670.65440.3692-1.54670.22380.0266-1.10830.6024-0.60091.19620.06550.04460.5664-0.11210.56229.09778.0924-26.2132
260.3418-0.1113-0.3514.95262.3791.40.13030.17690.6027-0.36830.2769-0.5406-0.22640.3531-0.49130.53140.28410.35711.79280.64060.951-8.9925-24.591729.4694
274.2786-1.0263-2.39341.12590.15912.07650.74920.7126-0.24920.2571-0.5942-0.7856-0.12750.7612-0.04690.4998-0.0485-0.26730.96360.32660.9727-19.4929-18.743437.9415
281.9212-0.8655-0.01442.0841-0.21450.8192-0.17710.2371-0.3279-0.0395-0.1543-0.6002-0.04580.71850.11060.10110.1370.03331.27440.12890.831-15.7845-33.228737.4942
292.36590.1591-0.17620.4340.85191.8513-0.3454-0.45940.06460.3342-0.1932-0.197-0.13310.97530.15680.41820.0752-0.26841.07660.03130.9027-15.9089-21.464150.1014
302.4094-3.2717-3.91794.73645.49586.5543-0.36830.16250.2434-0.0440.4695-0.75551.1021.1719-0.13850.65650.31450.16520.84160.1170.7958-24.3495-40.379727.3467
310.97641.1255-0.90911.8559-2.06382.7379-0.26460.497-0.5282-0.3155-0.0248-0.67190.77710.72940.39170.55980.41440.10831.00840.18490.6967-20.9667-33.009726.0832
321.10980.78540.41960.75290.08730.3805-0.15850.1921-0.2408-0.0873-0.0905-0.3270.05810.3472-0.1664-0.1330.1163-0.03470.98080.21440.7599-22.4894-27.982143.4984
330.3109-0.10380.05290.35240.09560.16230.03970.3484-0.1505-0.09630.1705-0.7743-0.00180.4904-0.09530.003-0.2329-0.04751.35590.20681.2242-13.8611-21.018237.6992
340.82641.7840.14164.81550.82010.91270.150.20180.3172-0.26930.2051-0.2699-0.34410.2574-0.06060.291-0.01850.10751.17340.07170.7446-20.1363-10.829726.3928
350.2963-0.50111.01441.7697-3.24696.10070.5025-0.5058-0.7046-1.79690.6121.33551.725-0.9042-1.03941.1968-0.348-0.45931.3257-0.13711.3611-44.3157-23.490919.6048
361.99910.6509-0.11442.2358-3.88877.81680.2356-0.5983-1.36130.4736-0.0535-0.25290.9201-0.3317-0.02910.3287-0.0873-0.13340.75510.2790.8453-39.6551-37.613322.1273
372.94012.18934.87311.63193.62968.0764-0.66560.27380.2089-0.86010.3056-0.5623-0.0742-0.26680.30051.1215-0.11380.09420.5972-0.1820.9999-35.3976-42.571712.9349
383.3592-3.1745-3.44158.5233.40025.3698-0.61350.1846-1.61070.2293-1.07912.95371.6278-2.91591.66910.9955-0.5055-0.1381.3180.13781.328-48.0861-39.121114.0502
395.60360.31-6.20057.5447-3.96888.9421-0.068-0.01360.4463-0.22780.329-0.4686-0.15650.3706-0.16120.30410.0489-0.01180.6612-0.11040.8265-34.2528-32.119212.0897
408.1378-1.33451.94540.2227-0.3430.61180.55350.5293-0.9801-0.488-0.34710.76471.1089-0.3625-0.15761.5034-0.0959-0.58430.6916-0.00781.0286-25.928620.277637.5694
414.1504-1.3765-2.04225.6583-2.10062.52851.142-0.084-0.4009-0.6609-0.50750.70231.1707-0.933-0.55560.6873-0.1689-0.19770.57710.05980.6804-18.269931.090340.5849
420.0291-0.0094-0.02710.00080.00610.02740.3421-0.0772-0.22640.0204-0.12750.67270.4786-0.5676-0.12030.6969-0.0888-0.28790.942-0.01050.8584-42.108934.789631.2697
432.4437-0.85420.60510.5915-0.64072.34590.2003-0.864-0.46170.1759-0.1260.19590.50530.1058-0.17120.6929-0.2991-0.53061.06840.29460.9154-21.42722.179353.6707
446.0183-0.41481.53384.0312-1.70853.35180.0336-0.207-0.0516-0.007-0.02630.0144-0.06670.0567-0.14080.1774-0.2043-0.13180.5992-0.1050.8456-30.929237.345540.6539
457.5662-1.18372.3364.3542-2.27124.51230.29721.0397-0.355-0.53290.02690.00640.49290.3396-0.27990.6223-0.0279-0.25780.8171-0.02120.4909-25.101633.819935.1766
467.40641.34232.34913.70150.71342.13590.5014-0.4754-0.56120.378-0.1476-0.05320.6713-0.4148-0.24660.4861-0.2921-0.02060.6660.00340.5227-23.221933.497449.4077
471.4856-2.8751.90155.5769-3.74042.6303-0.4733-0.6507-0.44750.19660.2390.86890.0785-0.8020.09970.7566-0.2699-0.32490.71260.08141.2244-37.890429.66942.16
482.1921-0.25251.53890.9427-0.94975.86440.27860.3623-0.9395-0.1928-0.1292-0.17171.03081.1631-0.57550.62790.1426-0.63770.594-0.09771.0577-11.364421.920139.3249
493.81070.0502-0.78346.2369-3.72228.39450.4092-0.65360.4707-0.16260.120.4553-0.2201-0.972-0.5150.2463-0.04220.07360.6696-0.02880.5253-26.753852.50323.6401
507.19084.86115.38333.35523.41184.8548-0.88930.04422.413-0.77690.03941.2202-2.3941-1.16190.78911.05970.42220.02970.67490.16160.8914-24.475361.770218.6872
516.3443-3.5233-1.31829.55811.79226.51540.1556-0.0519-0.6840.1486-0.18530.03870.04560.3989-0.12420.49750.20870.14310.5919-0.05750.8226-23.212646.24616.5008
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN 'A' AND (RESID 1053 THROUGH 1075 )
2X-RAY DIFFRACTION2CHAIN 'A' AND (RESID 1076 THROUGH 1088 )
3X-RAY DIFFRACTION3CHAIN 'A' AND (RESID 1089 THROUGH 1113 )
4X-RAY DIFFRACTION4CHAIN 'A' AND (RESID 1114 THROUGH 1123 )
5X-RAY DIFFRACTION5CHAIN 'A' AND (RESID 1124 THROUGH 1134 )
6X-RAY DIFFRACTION6CHAIN 'A' AND (RESID 1135 THROUGH 1187 )
7X-RAY DIFFRACTION7CHAIN 'A' AND (RESID 1188 THROUGH 1214 )
8X-RAY DIFFRACTION8CHAIN 'A' AND (RESID 1215 THROUGH 1227 )
9X-RAY DIFFRACTION9CHAIN 'A' AND (RESID 1228 THROUGH 1238 )
10X-RAY DIFFRACTION10CHAIN 'A' AND (RESID 140 THROUGH 145 )
11X-RAY DIFFRACTION11CHAIN 'A' AND (RESID 146 THROUGH 163 )
12X-RAY DIFFRACTION12CHAIN 'A' AND (RESID 164 THROUGH 177 )
13X-RAY DIFFRACTION13CHAIN 'A' AND (RESID 178 THROUGH 191 )
14X-RAY DIFFRACTION14CHAIN 'E' AND (RESID 1054 THROUGH 1075 )
15X-RAY DIFFRACTION15CHAIN 'E' AND (RESID 1076 THROUGH 1108 )
16X-RAY DIFFRACTION16CHAIN 'E' AND (RESID 1109 THROUGH 1120 )
17X-RAY DIFFRACTION17CHAIN 'E' AND (RESID 1121 THROUGH 1150 )
18X-RAY DIFFRACTION18CHAIN 'E' AND (RESID 1151 THROUGH 1160 )
19X-RAY DIFFRACTION19CHAIN 'E' AND (RESID 1161 THROUGH 1187 )
20X-RAY DIFFRACTION20CHAIN 'E' AND (RESID 1188 THROUGH 1214 )
21X-RAY DIFFRACTION21CHAIN 'E' AND (RESID 1215 THROUGH 1227 )
22X-RAY DIFFRACTION22CHAIN 'E' AND (RESID 1228 THROUGH 1237 )
23X-RAY DIFFRACTION23CHAIN 'E' AND (RESID 142 THROUGH 156 )
24X-RAY DIFFRACTION24CHAIN 'E' AND (RESID 157 THROUGH 163 )
25X-RAY DIFFRACTION25CHAIN 'E' AND (RESID 164 THROUGH 197 )
26X-RAY DIFFRACTION26CHAIN 'I' AND (RESID 1056 THROUGH 1068 )
27X-RAY DIFFRACTION27CHAIN 'I' AND (RESID 1069 THROUGH 1085 )
28X-RAY DIFFRACTION28CHAIN 'I' AND (RESID 1086 THROUGH 1116 )
29X-RAY DIFFRACTION29CHAIN 'I' AND (RESID 1117 THROUGH 1136 )
30X-RAY DIFFRACTION30CHAIN 'I' AND (RESID 1137 THROUGH 1148 )
31X-RAY DIFFRACTION31CHAIN 'I' AND (RESID 1149 THROUGH 1158 )
32X-RAY DIFFRACTION32CHAIN 'I' AND (RESID 1159 THROUGH 1187 )
33X-RAY DIFFRACTION33CHAIN 'I' AND (RESID 1188 THROUGH 1227 )
34X-RAY DIFFRACTION34CHAIN 'I' AND (RESID 1228 THROUGH 1237 )
35X-RAY DIFFRACTION35CHAIN 'I' AND (RESID 140 THROUGH 145 )
36X-RAY DIFFRACTION36CHAIN 'I' AND (RESID 146 THROUGH 156 )
37X-RAY DIFFRACTION37CHAIN 'I' AND (RESID 157 THROUGH 163 )
38X-RAY DIFFRACTION38CHAIN 'I' AND (RESID 164 THROUGH 177 )
39X-RAY DIFFRACTION39CHAIN 'I' AND (RESID 178 THROUGH 196 )
40X-RAY DIFFRACTION40CHAIN 'M' AND (RESID 1053 THROUGH 1075 )
41X-RAY DIFFRACTION41CHAIN 'M' AND (RESID 1076 THROUGH 1088 )
42X-RAY DIFFRACTION42CHAIN 'M' AND (RESID 1089 THROUGH 1100 )
43X-RAY DIFFRACTION43CHAIN 'M' AND (RESID 1101 THROUGH 1126 )
44X-RAY DIFFRACTION44CHAIN 'M' AND (RESID 1127 THROUGH 1150 )
45X-RAY DIFFRACTION45CHAIN 'M' AND (RESID 1151 THROUGH 1160 )
46X-RAY DIFFRACTION46CHAIN 'M' AND (RESID 1161 THROUGH 1186 )
47X-RAY DIFFRACTION47CHAIN 'M' AND (RESID 1187 THROUGH 1209 )
48X-RAY DIFFRACTION48CHAIN 'M' AND (RESID 1210 THROUGH 1237 )
49X-RAY DIFFRACTION49CHAIN 'M' AND (RESID 142 THROUGH 163 )
50X-RAY DIFFRACTION50CHAIN 'M' AND (RESID 164 THROUGH 177 )
51X-RAY DIFFRACTION51CHAIN 'M' AND (RESID 178 THROUGH 195 )

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