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- PDB-5fj4: Structure of the standard kink turn HmKt-7 as stem loop bound wit... -

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Basic information

Entry
Database: PDB / ID: 5fj4
TitleStructure of the standard kink turn HmKt-7 as stem loop bound with U1A and L7Ae proteins
Components
  • 50S RIBOSOMAL PROTEIN L7AE
  • HMKT-7
  • U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
KeywordsTRANSCRIPTION / KINK TURN
Function / homology
Function and homology information


U1 snRNP binding / ribonuclease P activity / tRNA 5'-leader removal / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / spliceosomal complex / mRNA splicing, via spliceosome / ribosome biogenesis ...U1 snRNP binding / ribonuclease P activity / tRNA 5'-leader removal / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / spliceosomal complex / mRNA splicing, via spliceosome / ribosome biogenesis / rRNA binding / structural constituent of ribosome / ribosome / translation / ribonucleoprotein complex / DNA binding / RNA binding / nucleoplasm / identical protein binding / nucleus / cytoplasm
Similarity search - Function
U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / Ribosomal protein L30/S12 / Ribosomal protein L7Ae, archaea / RRM (RNA recognition motif) domain / 60s Ribosomal Protein L30; Chain: A; / Ribosomal protein L7Ae conserved site / Ribosomal protein L7Ae signature. / Ribosomal protein L7Ae/L8/Nhp2 family / : ...U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / Ribosomal protein L30/S12 / Ribosomal protein L7Ae, archaea / RRM (RNA recognition motif) domain / 60s Ribosomal Protein L30; Chain: A; / Ribosomal protein L7Ae conserved site / Ribosomal protein L7Ae signature. / Ribosomal protein L7Ae/L8/Nhp2 family / : / RNA recognition motif / RNA recognition motif / Eukaryotic RNA Recognition Motif (RRM) profile. / RNA recognition motif domain / RNA-binding domain superfamily / Ribosomal protein L7Ae/L30e/S12e/Gadd45 / Ribosomal protein L7Ae/L30e/S12e/Gadd45 family / 50S ribosomal protein L30e-like / Nucleotide-binding alpha-beta plait domain superfamily / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
RNA / RNA (> 10) / Large ribosomal subunit protein eL8 / U1 small nuclear ribonucleoprotein A
Similarity search - Component
Biological speciesHOMO SAPIENS (human)
ARCHAEOGLOBUS FULGIDUS (archaea)
HALOARCULA MARISMORTUI (Halophile)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsHuang, L. / Lilley, D.M.J.
CitationJournal: Nucleic Acids Res. / Year: 2016
Title: A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Authors: Huang, L. / Wang, J. / Lilley, D.M.J.
History
DepositionOct 6, 2015Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 25, 2016Provider: repository / Type: Initial release
Revision 1.1Jul 6, 2016Group: Database references
Revision 1.2Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
B: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
C: 50S RIBOSOMAL PROTEIN L7AE
D: HMKT-7
E: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
G: 50S RIBOSOMAL PROTEIN L7AE
H: HMKT-7


Theoretical massNumber of molelcules
Total (without water)96,5968
Polymers96,5968
Non-polymers00
Water00
1
A: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
B: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
C: 50S RIBOSOMAL PROTEIN L7AE
D: HMKT-7


Theoretical massNumber of molelcules
Total (without water)48,2984
Polymers48,2984
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4800 Å2
ΔGint-12.4 kcal/mol
Surface area24320 Å2
MethodPQS
2
E: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
G: 50S RIBOSOMAL PROTEIN L7AE
H: HMKT-7


Theoretical massNumber of molelcules
Total (without water)48,2984
Polymers48,2984
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4730 Å2
ΔGint-16 kcal/mol
Surface area24300 Å2
MethodPQS
Unit cell
Length a, b, c (Å)131.853, 161.226, 149.899
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
22
/ NCS ensembles :
ID
1
2

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Components

#1: Protein
U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A / U1 SNRNP A / U1-A / U1A


Mass: 11744.777 Da / Num. of mol.: 4 / Fragment: RRM 1 DOMAIN, UNP RESIDUES 1-102
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD PLYSS / References: UniProt: P09012
#2: Protein 50S RIBOSOMAL PROTEIN L7AE / RIBOSOMAL PROTEIN L8E / AFL7AE


Mass: 13494.545 Da / Num. of mol.: 2 / Fragment: RNA BINDING DOMAIN, UNP RESIDUES 5-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) ARCHAEOGLOBUS FULGIDUS (archaea) / Strain: DSM 4304 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): GOLD PLYSS / References: UniProt: O29494
#3: RNA chain HMKT-7


Mass: 11313.805 Da / Num. of mol.: 2 / Fragment: KINK TURN MOTIF / Source method: obtained synthetically / Source: (synth.) HALOARCULA MARISMORTUI (Halophile)

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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: 4.67 Å3/Da / Density % sol: 73.68 % / Description: NONE
Crystal growpH: 8.5
Details: 0.1 M TRIS HYDROCHLORIDE PH 8.5, 2.0 M MONO-AMMONIUM DIHYDROGEN PHOSPHATE

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Data collection

DiffractionMean temperature: 173 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 29, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 2.95→84.37 Å / Num. obs: 34011 / % possible obs: 99.9 % / Observed criterion σ(I): 1.1 / Redundancy: 7.5 % / Biso Wilson estimate: 104.08 Å2 / Rmerge(I) obs: 0.08 / Net I/σ(I): 23.6
Reflection shellResolution: 2.95→3.09 Å / Redundancy: 7.6 % / Rmerge(I) obs: 1.38 / Mean I/σ(I) obs: 1.1 / % possible all: 99.7

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
iMOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 4C4W

4c4w


Resolution: 2.95→80.613 Å / SU ML: 0.38 / σ(F): 1.35 / Phase error: 26.08 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2369 1654 4.9 %
Rwork0.1987 --
obs0.2007 33933 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 128.18 Å2
Refinement stepCycle: LAST / Resolution: 2.95→80.613 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4938 1504 0 0 6442
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0146733
X-RAY DIFFRACTIONf_angle_d1.8459406
X-RAY DIFFRACTIONf_dihedral_angle_d16.4683982
X-RAY DIFFRACTIONf_chiral_restr0.0831119
X-RAY DIFFRACTIONf_plane_restr0.013932
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.95-3.03690.33591290.32892656X-RAY DIFFRACTION100
3.0369-3.13490.33691250.31112655X-RAY DIFFRACTION100
3.1349-3.24690.34521300.30752683X-RAY DIFFRACTION100
3.2469-3.37690.30051290.2742683X-RAY DIFFRACTION100
3.3769-3.53060.31981310.24482635X-RAY DIFFRACTION100
3.5306-3.71680.22961550.21882681X-RAY DIFFRACTION100
3.7168-3.94960.2371320.20012680X-RAY DIFFRACTION100
3.9496-4.25460.2291400.1822668X-RAY DIFFRACTION100
4.2546-4.68270.20571530.17212687X-RAY DIFFRACTION100
4.6827-5.36010.23981460.17152700X-RAY DIFFRACTION100
5.3601-6.75270.22961410.19682726X-RAY DIFFRACTION100
6.7527-80.64310.21471430.17632825X-RAY DIFFRACTION99
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)
16.1838-2.0782.59091.1191-1.19191.33910.1346-2.376-0.2617-0.9033-0.99772.91130.6909-2.510.83260.7628-0.08090.18180.7319-0.18221.201-45.6397-6.2074-12.4559
23.9144-1.5318-3.283.54161.2322.870.64361.824-0.2996-0.8831-0.2709-0.29121.8755-2.50150.11140.7525-0.0443-0.04091.09470.03190.5594-39.5508-14.8749-23.5189
31.7094-0.56190.56022.3323-1.96063.91710.38240.1863-2.5702-0.29250.32180.11962.2142-0.5016-0.23911.12770.13620.17920.9991-0.06661.0864-31.0551-23.252-23.7722
48.3715-1.7989-1.08743.08554.08087.2958-0.79910.2533-0.7448-0.69290.6249-1.41680.92842.5481-0.17750.7692-0.16630.25521.0360.04520.7142-28.0937-16.2-20.3719
57.16452.09931.04677.18794.95383.35690.8254-0.8294-0.64070.57281.2906-0.86081.64062.90540.0588-0.5672-0.43521.44570.57460.60040.231-28.8895-6.6807-19.1287
66.98130.6753-1.25632.31842.13692.50970.0968-0.30460.0199-0.8514-2.0123-0.66780.0590.58111.27510.7438-0.1178-0.04340.75930.07530.6149-31.4838-7.1615-11.559
73.9554-1.2937-0.7744.6648-2.50394.3156-0.31030.4552-0.2549-0.28080.28840.28430.043-0.58910.04090.504-0.04240.09320.77560.00730.6665-38.2491-11.9867-17.6154
85.4894-0.3963.26884.8419-1.67914.4482-0.57131.6136-0.7693-0.02480.1725-0.515-0.9228-0.3917-0.28030.97360.05470.11571.07770.03430.868-34.097-11.9046-29.9895
96.5238-1.44880.46523.5043-3.72568.2776-0.4343-0.79690.0672-0.86070.60960.56672.2145-2.31020.14620.7696-0.19170.02920.8857-0.09270.8169-44.6237-11.2926-14.9929
103.1354-3.4396-0.17914.8082.77976.89540.2145-1.6704-0.34030.7688-0.15062.30610.527-0.22390.10730.5059-0.01220.15230.75210.04691.031-41.3882-11.5223-0.5409
111.69441.69571.0972.62-1.22443.31820.14960.79060.7303-0.6063-0.1654-0.8041-1.24990.5592-0.3121.12210.24530.47021.14760.06161.0996-14.8473-3.4567-34.1588
120.02720.03270.34732.03671.34053.84080.05190.1375-1.197-0.8013-0.0654-1.70641.14940.08970.93290.97620.15650.12371.44210.06341.1556-14.769-12.4199-18.863
135.1445-0.05621.53723.7044-1.194.04981.30271.4587-1.22050.2864-0.4324-0.96281.68550.47360.9870.85250.12850.92590.67710.341.1721-21.5475-13.541-27.5484
145.85640.72373.15136.17081.08238.44980.28360.51760.1065-1.1826-0.6974-0.4339-0.2069-0.34680.77361.21010.0170.29351.1487-0.13151.112-20.1688-12.7375-34.7894
154.6087-2.29520.45241.99231.61587.84040.85911.35911.26321.4248-0.64770.94591.88852.65990.60191.87430.094-0.0031.70270.0961.5589-7.2401-8.2351-20.8006
164.19172.4958-0.53464.2249-0.4574.52710.32661.96070.348-1.70481.11-0.0733-1.50590.84830.67891.31270.54350.86521.16210.1481.0726-19.1568-6.9608-38.182
176.25530.1067-3.4532.3057-2.45248.59160.1958-0.0480.4154-0.9069-1.20370.0856-0.82532.12770.33670.9809-0.0460.15810.67930.01640.9516-23.8172-1.8252-26.4726
188.1173-1.329-2.13864.56673.95623.87421.58360.9297-0.8027-0.43390.9589-2.7981-1.92970.2601-2.17051.21430.16490.43031.0780.26992.0036-14.7541-0.3334-35.2965
191.98261.02485.52255.7786-4.84528.23470.6848-0.3261-0.4251-1.352.0164-0.2697-1.33322.7395-1.06271.2607-0.03760.85251.5177-0.08331.6801-6.3031-9.9931-37.805
205.11383.35120.23453.74231.12060.63220.36211.5286-1.45681.9985-0.1593-0.45280.04293.07830.31541.6344-0.21570.28071.810.06011.7441-3.405-13.1487-30.2792
217.56310.65616.03013.93430.43295.59332.393-2.9647-2.2352.52210.97262.5215-0.93310.3995-2.08962.4658-0.25940.25251.75330.30971.7549-14.9415-61.1967-12.02
224.0370.90042.60133.79542.84393.0782.209-2.4133-0.5851.93470.57740.94-0.5354-0.0388-2.99991.8607-0.42360.37082.36670.37061.3219-19.681-50.4901-6.5152
234.68070.62482.19322.62682.0912.32880.6986-0.7080.4294-0.5789-1.893-0.2941-0.1405-0.7670.16072.50550.18530.38261.6069-0.08731.0596-18.4606-39.5487-7.3957
244.31330.2481.67673.6587-0.62974.26320.0739-0.988-0.3344-0.0631-0.39350.39540.3248-0.0792-0.14651.5356-0.13390.20271.0667-0.03750.8819-10.4801-47.5669-18.8173
254.4012-0.6144-1.49633.5356-0.33550.60131.1578-0.0464-0.8520.0629-0.7505-0.03761.5051.0876-0.51921.5698-0.00860.19011.0092-0.00981.2105-7.6254-54.914-23.6413
266.75184.38091.75293.02071.73642.4684-1.22241.6477-2.1681-0.2371.5696-2.16130.85530.930.34711.6792-0.2530.18541.333-0.13141.39480.2795-52.8379-16.3396
270.58920.2487-0.33282.40522.54233.2942-0.468-0.26720.72170.99231.17850.2688-0.69691.1555-0.79811.7138-0.0830.19251.1360.1621.0213-10.1028-55.2521-12.9982
286.289-2.16512.14448.5435-1.71523.9758-0.2215-2.3118-1.0063-0.19540.92431.4261-1.1798-0.0802-1.02921.2817-0.14090.28281.141-0.01970.9172-20.6496-47.2619-17.2727
294.4031.298-0.44522.0292-0.09422.57730.0315-2.64631.27843.1815-0.10550.47270.64930.5982-0.18412.5480.3860.28172.72390.06291.4188-10.8938-45.0894-1.1103
302.59390.54560.84570.2068-0.30692.9012-0.4760.52451.11461.2841-0.0067-1.6986-0.92080.8187-0.06391.7305-0.3199-0.00962.01850.48461.7626-7.7842-58.4667-3.3768
316.3859-2.0191-3.67772.5201-0.71314.8650.93190.4379-0.022-0.75910.50850.46991.5291-0.7337-1.19341.4813-0.0790.35831.12090.02770.8214-7.821-37.014-31.3731
321.81711.01451.10353.2806-1.57933.14830.04360.3531-0.6693-0.34070.35480.8526-0.6491-0.226-0.66751.5367-0.06070.14650.9482-0.2031.0884-23.1627-34.4899-27.0824
332.25740.2868-2.60264.6392.56838.0914-1.11973.4602-2.3366-0.5004-2.28760.8246-0.1471-1.08412.79511.2369-0.1536-0.03761.5197-0.4681.4689-41.3436-30.8661-32.9088
343.6306-0.54420.01224.0331-0.07253.170.5270.7837-1.5526-1.52580.03910.85350.52760.404-0.2060.952-0.0761-0.18141.0508-0.08441.1278-46.1433-19.7205-20.6321
354.3968-3.6317-1.14213.5541.69571.1942-0.68780.7917-2.47252.90611.41513.2092.4008-0.35220.08631.3310.07330.00821.1533-0.1321.442-40.3211-27.9543-9.6594
362.58390.65131.55640.28210.75461.29621.22690.5806-0.99290.7626-0.77951.05330.05480.4817-0.5221.3541-0.13370.18280.9233-0.41671.4557-34.5696-39.782-28.1725
375.5791-2.81090.51587.4576-2.95786.47811.0725-0.5946-0.2990.0703-0.95341.37930.3510.3356-0.16991.61810.06220.16830.7986-0.05440.8603-18.3304-42.951-27.3234
384.41511.1421-2.4821.4822-0.84642.02780.6562-0.11140.356-0.2098-0.09531.18710.932-0.549-0.15051.4058-0.01160.33731.0635-0.03561.1071-13.428-29.3495-32.9911
392.8908-2.86773.17134.1673-1.14676.4039-1.9496-1.26670.08970.04650.0378-3.4443-2.44351.38050.78660.4759-0.1179-0.04680.82650.29061.57443.4866-71.3502-10.0727
404.4737-0.24371.55254.80490.80993.7897-0.53361.95270.6602-1.2555-0.5793-1.3272-1.5716-0.20250.62360.91390.1467-0.04150.71240.15440.915135.2946-57.2348-18.099
414.8842-2.70020.13955.2469-4.15956.26260.71-1.35193.51540.05491.31511.0507-0.7335-1.1801-1.2191.10050.26220.16431.01550.03781.133125.1997-53.6785-14.0552
425.965-1.5568-1.06425.26522.14084.00660.3619-0.34371.11270.9752-0.3937-0.6380.0586-0.7186-0.72130.68080.28170.03780.85580.07690.556925.77-63.4734-15.3612
432.272-1.7403-2.41372.64192.26342.6813-0.4699-1.73220.879-0.5036-0.63531.5365-0.40970.49990.51230.7279-0.08580.14510.64180.30940.849427.239-72.9456-14.1804
444.23862.7912-1.22975.0415-0.59965.1581-0.06810.33151.2989-0.01060.10121.1082-0.42090.4207-0.07410.6054-0.0332-0.13210.55410.14080.900834.4162-57.8185-10.7368
452.0111-4.3482-4.91697.2034.15714.488-0.58230.3287-0.18471.3228-0.09350.76731.8121-1.05340.61650.5420.1633-0.20190.7519-0.11451.175734.084-75.3542-9.2509
464.14140.94891.16859.167-0.92656.34660.00730.95230.5547-3.0005-0.4528-1.07570.1204-0.40140.11820.90660.14060.13810.82040.07720.693733.6652-65.6888-22.9872
472.1719-1.0157-0.05350.85840.09345.09630.06050.1680.009-0.5384-0.2457-0.8781-0.83721.26760.31490.66640.05180.08880.80750.1610.908940.4361-65.8542-7.6883
486.11791.73-4.92683.3753-3.22565.6313-1.5001-1.599-1.23230.50272.0235-1.09480.2089-0.5596-1.09630.770.1162-0.1580.9030.18761.062740.224-69.26564.2894
493.32981.6149-1.43734.87030.37094.09630.3731.1111-0.0542-0.216-0.22021.2078-0.9385-1.6409-0.32150.90010.19970.01671.56270.01040.782312.9199-67.458-32.5568
500.8654-0.1291-0.7699.9091-2.2243.17710.219-0.70880.31891.604-1.0321.0970.1483-1.08230.71830.91650.2324-0.05131.96420.01830.894411.8905-63.6698-15.77
514.5045-0.3543-0.36745.4512-0.22897.7061-0.45380.92211.7572-0.9387-0.2031-0.4669-0.9009-1.05130.56250.96240.2861-0.14621.16820.05070.827518.4036-59.1042-26.7236
527.7868-0.3514-0.47382.24433.24154.66751.72581.20780.67762.31950.52220.2744-1.2856-0.1922-1.29621.9930.0539-0.29772.4073-0.00981.10613.7132-67.0778-18.9447
530.65971.1310.25933.85931.98443.9037-0.1561-0.10560.4427-2.5030.09930.8078-0.4888-0.8725-0.26621.25940.4156-0.09721.40650.37310.58615.9708-62.1252-35.0936
541.5246-1.78040.8962.1064-0.9641.01610.8881.0120.3877-1.8166-0.4308-1.55250.24750.64930.88891.50230.28530.34240.95150.21280.919223.3689-69.2556-34.7248
553.3096-1.16641.36696.9550.70143.7730.24930.0765-0.1382-0.5738-1.2936-0.54511.0276-0.92740.6690.7520.1091-0.02660.82980.05450.864320.4686-71.5881-22.5946
569.3819-1.30830.42392.2708-1.61931.6387-0.21030.69970.5722-0.47051.04182.5919-1.2028-1.4740.29761.35160.3118-0.06491.23190.01180.565814.0153-70.7667-34.0304
571.07870.66661.09171.39330.24661.2758-0.62111.97270.5507-0.3179-0.6097-0.1352-1.3534-0.4265-0.30060.55111.129-2.15862.5088-0.60740.54135.2692-62.1388-36.7638
580.2697-0.51910.87125.32981.53535.1961-0.07241.63542.2113-2.6199-2.02561.64260.422-0.71011.3721.36190.7184-0.1371.595-0.13881.01781.7088-59.3241-28.7415
599.5985-0.55640.79396.70392.41522.3318-1.1349-0.91153.09360.3826-0.8192-1.17671.3048-0.69380.31232.45940.2758-0.43911.0578-0.37291.9694.9093-12.4597-5.858
606.6412-0.4932-0.94685.081-2.41726.13480.6687-2.67350.75030.0567-0.31530.4902-0.77912.71390.44972.371-0.3879-0.13142.0002-0.51740.9936.7828-30.0916-1.3504
611.0811-1.42940.08861.7458-0.15111.9174-0.42451.8632-0.1839-0.7511-0.0146-0.5228-0.0464-1.95811.01681.0048-0.0314-0.01061.2367-0.04050.94133.4585-29.6764-17.0405
622.63670.72863.06931.83432.6155.534-2.3976-1.1152-1.3556-1.1195-1.0642-0.9124-0.2673-0.28162.92561.3975-0.07530.32821.6562-0.06721.1307-4.2414-29.9493-13.8587
635.12750.2147-2.44853.0932-2.58153.1246-0.1808-0.09410.50941.0346-0.30710.464-1.2868-0.18150.05271.53180.00140.17661.0885-0.33641.17193.522-18.9246-13.5237
647.71325.42850.38364.0437-0.36631.87061.1653-2.4104-0.3106-0.3059-0.9227-1.95071.12310.3384-0.23821.70170.1635-0.56231.8504-0.45531.495415.5948-25.5046-6.7738
658.0797-5.07891.63483.7421-2.36744.3271-0.6732-1.24530.9122-0.28980.2372-2.03480.5368-1.916-0.31491.67170.05890.0561.073-0.11981.056711.9343-28.7717-11.0945
660.30190.4356-1.02261.2043-1.5943.4681-0.1697-1.23-1.0790.19341.656-1.3419-0.20941.1198-1.21631.77060.1273-0.0932.1565-0.14310.8923-0.976-35.7209-1.8741
676.08330.25390.78930.88990.60610.4842-0.1893-3.0363-1.8594-0.58760.18890.5587-0.9121.06690.21042.05540.18381.00614.1921-1.83360.6652-3.2613-27.98332.7297
685.17540.11385.54862.0985-0.33647.79091.1933-0.711-1.12041.0467-0.3978-0.16242.5349-0.18061.14551.6308-0.0946-0.00132.4954-1.16921.5681-4.3459-17.06710.56
692.8714-2.55760.2068.3718-3.28362.5961.05871.18071.8661-3.37720.7552-2.63840.66310.5726-1.33891.49020.19230.30891.0072-0.08810.82575.4842-34.4869-29.2272
707.1897-0.7672-0.36822.9550.51883.2108-0.8963-0.23031.8440.0349-0.0667-2.15640.45250.30410.79341.24830.093-0.0020.76360.03941.662218.3535-38.3994-19.9739
710.2664-0.5806-0.02131.06170.0881-0.04780.15141.0689-0.1286-1.50.2379-0.78350.3224-0.6180.1171.2128-0.0220.36781.13290.34431.656238.4674-41.1478-22.5405
725.62370.4567-0.20086.8230.84674.24810.28891.18141.4478-0.22710.735-0.9376-0.8652-1.187-1.47360.68380.0430.14680.83320.05931.239842.3422-55.8675-11.4695
736.5071-2.49221.77945.84892.27625.4715-0.3483-4.82042.08290.96141.46120.76722.4601-1.1497-1.34311.584-0.2387-0.04951.46710.10921.674336.7491-46.5864-4.1731
747.9508-2.13052.06564.1325-0.02361.2373-0.57492.47731.97891.2985-0.27931.1206-0.57251.34350.54711.52680.0291-0.40610.99690.32852.679931.6247-32.966-17.5838
753.6496-0.2519-0.1543.5224-0.07033.14640.1749-0.13570.5418-0.3674-1.0984-2.6592-0.71670.07950.67621.48960.20270.020.93320.11511.385915.5483-29.7825-20.2318
764.00780.16240.59887.0942-0.60546.2928-0.7948-0.29020.3999-0.4655-0.3662-0.0909-0.3310.02031.0991.70750.10790.12941.0898-0.01941.121311.1139-42.4005-29.1405
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(CHAIN A AND RESID 6:11)
2X-RAY DIFFRACTION2(CHAIN A AND RESID 12:18)
3X-RAY DIFFRACTION3(CHAIN A AND RESID 19:24)
4X-RAY DIFFRACTION4(CHAIN A AND RESID 25:30)
5X-RAY DIFFRACTION5(CHAIN A AND RESID 31:36)
6X-RAY DIFFRACTION6(CHAIN A AND RESID 37:42)
7X-RAY DIFFRACTION7(CHAIN A AND RESID 43:73)
8X-RAY DIFFRACTION8(CHAIN A AND RESID 74:82)
9X-RAY DIFFRACTION9(CHAIN A AND RESID 83:92)
10X-RAY DIFFRACTION10(CHAIN A AND RESID 93:101)
11X-RAY DIFFRACTION11(CHAIN B AND RESID 7:18)
12X-RAY DIFFRACTION12(CHAIN B AND RESID 19:24)
13X-RAY DIFFRACTION13(CHAIN B AND RESID 25:34)
14X-RAY DIFFRACTION14(CHAIN B AND RESID 35:46)
15X-RAY DIFFRACTION15(CHAIN B AND RESID 47:52)
16X-RAY DIFFRACTION16(CHAIN B AND RESID 53:69)
17X-RAY DIFFRACTION17(CHAIN B AND RESID 70:82)
18X-RAY DIFFRACTION18(CHAIN B AND RESID 83:88)
19X-RAY DIFFRACTION19(CHAIN B AND RESID 89:96)
20X-RAY DIFFRACTION20(CHAIN B AND RESID 97:102)
21X-RAY DIFFRACTION21(CHAIN C AND RESID 1:12)
22X-RAY DIFFRACTION22(CHAIN C AND RESID 13:19)
23X-RAY DIFFRACTION23(CHAIN C AND RESID 20:27)
24X-RAY DIFFRACTION24(CHAIN C AND RESID 28:56)
25X-RAY DIFFRACTION25(CHAIN C AND RESID 57:64)
26X-RAY DIFFRACTION26(CHAIN C AND RESID 65:69)
27X-RAY DIFFRACTION27(CHAIN C AND RESID 70:77)
28X-RAY DIFFRACTION28(CHAIN C AND RESID 78:98)
29X-RAY DIFFRACTION29(CHAIN C AND RESID 99:111)
30X-RAY DIFFRACTION30(CHAIN C AND RESID 112:117)
31X-RAY DIFFRACTION31(CHAIN D AND RESID 1:4)
32X-RAY DIFFRACTION32(CHAIN D AND RESID 5:9)
33X-RAY DIFFRACTION33(CHAIN D AND RESID 10:13)
34X-RAY DIFFRACTION34(CHAIN D AND RESID 14:17)
35X-RAY DIFFRACTION35(CHAIN D AND RESID 18:21)
36X-RAY DIFFRACTION36(CHAIN D AND RESID 22:27)
37X-RAY DIFFRACTION37(CHAIN D AND RESID 28:31)
38X-RAY DIFFRACTION38(CHAIN D AND RESID 32:35)
39X-RAY DIFFRACTION39(CHAIN E AND RESID 6:10)
40X-RAY DIFFRACTION40(CHAIN E AND RESID 11:21)
41X-RAY DIFFRACTION41(CHAIN E AND RESID 22:26)
42X-RAY DIFFRACTION42(CHAIN E AND RESID 27:34)
43X-RAY DIFFRACTION43(CHAIN E AND RESID 35:39)
44X-RAY DIFFRACTION44(CHAIN E AND RESID 40:59)
45X-RAY DIFFRACTION45(CHAIN E AND RESID 60:65)
46X-RAY DIFFRACTION46(CHAIN E AND RESID 66:82)
47X-RAY DIFFRACTION47(CHAIN E AND RESID 83:96)
48X-RAY DIFFRACTION48(CHAIN E AND RESID 97:102)
49X-RAY DIFFRACTION49(CHAIN F AND RESID 7:18)
50X-RAY DIFFRACTION50(CHAIN F AND RESID 19:24)
51X-RAY DIFFRACTION51(CHAIN F AND RESID 25:46)
52X-RAY DIFFRACTION52(CHAIN F AND RESID 47:52)
53X-RAY DIFFRACTION53(CHAIN F AND RESID 53:66)
54X-RAY DIFFRACTION54(CHAIN F AND RESID 67:72)
55X-RAY DIFFRACTION55(CHAIN F AND RESID 73:82)
56X-RAY DIFFRACTION56(CHAIN F AND RESID 83:87)
57X-RAY DIFFRACTION57(CHAIN F AND RESID 88:93)
58X-RAY DIFFRACTION58(CHAIN F AND RESID 94:102)
59X-RAY DIFFRACTION59(CHAIN G AND RESID 1:10)
60X-RAY DIFFRACTION60(CHAIN G AND RESID 11:28)
61X-RAY DIFFRACTION61(CHAIN G AND RESID 29:39)
62X-RAY DIFFRACTION62(CHAIN G AND RESID 40:46)
63X-RAY DIFFRACTION63(CHAIN G AND RESID 47:79)
64X-RAY DIFFRACTION64(CHAIN G AND RESID 80:85)
65X-RAY DIFFRACTION65(CHAIN G AND RESID 86:97)
66X-RAY DIFFRACTION66(CHAIN G AND RESID 98:103)
67X-RAY DIFFRACTION67(CHAIN G AND RESID 104:111)
68X-RAY DIFFRACTION68(CHAIN G AND RESID 112:117)
69X-RAY DIFFRACTION69(CHAIN H AND RESID 1:4)
70X-RAY DIFFRACTION70(CHAIN H AND RESID 5:9)
71X-RAY DIFFRACTION71(CHAIN H AND RESID 10:13)
72X-RAY DIFFRACTION72(CHAIN H AND RESID 14:18)
73X-RAY DIFFRACTION73(CHAIN H AND RESID 19:22)
74X-RAY DIFFRACTION74(CHAIN H AND RESID 23:26)
75X-RAY DIFFRACTION75(CHAIN H AND RESID 27:31)
76X-RAY DIFFRACTION76(CHAIN H AND RESID 32:35)

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