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- PDB-4c4w: Structure of a rare, non-standard sequence k-turn bound by L7Ae p... -

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Basic information

Entry
Database: PDB / ID: 4c4w
TitleStructure of a rare, non-standard sequence k-turn bound by L7Ae protein
Components
  • 50S RIBOSOMAL PROTEIN L7AE
  • TSKT-23
  • U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
KeywordsRNA BINDING PROTEIN/RNA / RNA BINDING PROTEIN-RNA COMPLEX / RNA BINDING PROTEIN / KINK TURN
Function / homology
Function and homology information


U1 snRNP binding / ribonuclease P activity / tRNA 5'-leader removal / box C/D methylation guide snoRNP complex / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / maturation of LSU-rRNA / maturation of SSU-rRNA ...U1 snRNP binding / ribonuclease P activity / tRNA 5'-leader removal / box C/D methylation guide snoRNP complex / U1 snRNP / U1 snRNA binding / U4/U6 x U5 tri-snRNP complex / mRNA Splicing - Major Pathway / maturation of LSU-rRNA / maturation of SSU-rRNA / small-subunit processome / spliceosomal complex / mRNA splicing, via spliceosome / cytosolic large ribosomal subunit / rRNA binding / structural constituent of ribosome / translation / DNA binding / RNA binding / nucleoplasm / identical protein binding / nucleus
Similarity search - Function
U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / Ribosomal protein L7Ae, archaea / Ribosomal protein L30/S12 / 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 ...U1 small nuclear ribonucleoprotein A, RNA recognition motif 2 / U1 small nuclear ribonucleoprotein A, RNA recognition motif 1 / Ribosomal protein L7Ae, archaea / Ribosomal protein L30/S12 / 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 / Ribosomal protein L7Ae/L30e/S12e/Gadd45 / Ribosomal protein L7Ae/L30e/S12e/Gadd45 family / Eukaryotic RNA Recognition Motif (RRM) profile. / RNA recognition motif domain / 50S ribosomal protein L30e-like / RNA-binding domain superfamily / Nucleotide-binding alpha-beta plait domain superfamily / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
DIHYDROGENPHOSPHATE ION / RNA / RNA (> 10) / Large ribosomal subunit protein eL8 / U1 small nuclear ribonucleoprotein A
Similarity search - Component
Biological speciesHOMO SAPIENS (human)
ARCHAEOGLOBUS FULGIDUS (archaea)
KNEALLHAZIA SOLENOPSAE (fungus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsHuang, L. / Lilley, D.M.J.
CitationJournal: Nucleic Acids Res. / Year: 2014
Title: Structure of a Rare, Non-Standard Sequence K-Turn Bound by L7Ae Protein
Authors: Huang, L. / Lilley, D.M.J.
History
DepositionSep 9, 2013Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 12, 2014Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2014Group: Database references
Revision 1.2Dec 20, 2023Group: 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: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
B: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
C: 50S RIBOSOMAL PROTEIN L7AE
D: TSKT-23
E: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
G: 50S RIBOSOMAL PROTEIN L7AE
H: TSKT-23
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,59510
Polymers96,4018
Non-polymers1942
Water00
1
A: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
B: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
C: 50S RIBOSOMAL PROTEIN L7AE
D: TSKT-23
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,2985
Polymers48,2014
Non-polymers971
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4310 Å2
ΔGint-26.2 kcal/mol
Surface area21050 Å2
MethodPISA
2
E: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
F: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
G: 50S RIBOSOMAL PROTEIN L7AE
H: TSKT-23
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,2985
Polymers48,2014
Non-polymers971
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4460 Å2
ΔGint-24.6 kcal/mol
Surface area20480 Å2
MethodPISA
Unit cell
Length a, b, c (Å)135.892, 155.545, 146.874
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221

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Components

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


Mass: 11740.739 Da / Num. of mol.: 4 / Fragment: RRM 1 DOMAIN, RESIDUES 1-102
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PT7 / 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


Mass: 13522.559 Da / Num. of mol.: 2
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 TSKT-23


Mass: 11196.685 Da / Num. of mol.: 2 / Fragment: KINK TURN MOTIF, RESIDUES 1-35 / Source method: obtained synthetically / Source: (synth.) KNEALLHAZIA SOLENOPSAE (fungus)
#4: Chemical ChemComp-2HP / DIHYDROGENPHOSPHATE ION


Mass: 96.987 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H2O4P

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

CrystalDensity Matthews: 4.2 Å3/Da / Density % sol: 71 % / Description: NONE
Crystal growpH: 8
Details: 100 MM TRISHCL 8.5 AND 2.0 M MONO-AMMONIUM DIHYDROGEN PHOSPHATE

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.9763
DetectorType: ADSC CCD / Detector: CCD / Date: Jul 10, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9763 Å / Relative weight: 1
ReflectionResolution: 2.95→30.46 Å / Num. obs: 31598 / % possible obs: 95.5 % / Observed criterion σ(I): 2 / Redundancy: 6.8 % / Biso Wilson estimate: 77.85 Å2 / Rmerge(I) obs: 0.11 / Net I/σ(I): 12.9
Reflection shellResolution: 2.95→3.06 Å / Redundancy: 5.3 % / Rmerge(I) obs: 0.75 / Mean I/σ(I) obs: 2 / % possible all: 93.7

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1URN AND 4BW0

1urn

4bw0


Resolution: 2.95→30.456 Å / SU ML: 0.37 / σ(F): 1.34 / Phase error: 21.69 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2107 1598 5.1 %
Rwork0.167 --
obs0.1692 31541 95.44 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 73.6 Å2
Refinement stepCycle: LAST / Resolution: 2.95→30.456 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4878 1486 10 0 6374
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0086621
X-RAY DIFFRACTIONf_angle_d1.1749244
X-RAY DIFFRACTIONf_dihedral_angle_d15.292746
X-RAY DIFFRACTIONf_chiral_restr0.0771106
X-RAY DIFFRACTIONf_plane_restr0.005913
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.95-3.04510.33511500.29932606X-RAY DIFFRACTION93
3.0451-3.15390.31561500.24692621X-RAY DIFFRACTION93
3.1539-3.280.30711340.23152621X-RAY DIFFRACTION93
3.28-3.42910.21291610.21452617X-RAY DIFFRACTION93
3.4291-3.60960.27121260.19352611X-RAY DIFFRACTION92
3.6096-3.83540.21951310.17032635X-RAY DIFFRACTION92
3.8354-4.13080.20261510.14682678X-RAY DIFFRACTION95
4.1308-4.54530.19691440.13672857X-RAY DIFFRACTION100
4.5453-5.20020.1691510.13322870X-RAY DIFFRACTION100
5.2002-6.5410.18961540.15822881X-RAY DIFFRACTION100
6.541-30.45730.1851460.15712946X-RAY DIFFRACTION98
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)
18.27624.0192-0.93373.4921-2.50582.8394-0.85130.7631.04010.20340.39841.01190.2808-1.2501-0.29970.33430.07290.32850.54950.15560.7052-75.6492-30.6821-23.2905
21.5428-2.21870.12213.2414-0.08330.14550.6434-1.08670.23790.8689-0.75911.23180.0680.25660.05990.5407-0.01540.17730.5242-0.04270.3862-68.6544-20.5855-14.5249
32.5374-0.43344.3660.0884-0.77457.5109-0.5362-0.01460.3501-0.69420.3102-0.54660.1004-1.0652-0.26440.6121-0.07290.23250.3844-0.12291.1292-59.6629-12.593-17.1925
43.8842-0.2176-2.00463.6307-1.9993.14380.3648-0.06761.0086-0.49950.3294-0.6692-0.34770.7644-0.44840.5020.05910.14350.4146-0.10440.5355-57.7744-19.5886-19.8044
51.7180.5022.20371.0071-0.8737.39820.45140.50040.2440.13220.6976-0.0254-0.3131.3695-0.73980.4027-0.0713-0.01160.2761-0.10370.3412-58.8978-29.221-19.946
67.612-1.54822.01343.9655-4.44435.06940.11931.59120.59880.8554-0.1734-0.0528-0.6793-0.06350.03170.44080.06380.10010.52410.01760.4264-62.7424-29.796-26.5822
72.47030.8760.6771.38090.85991.00460.0766-0.2270.42360.11940.0128-0.0106-0.05450.0828-0.10240.37020.06060.11870.35970.04240.4378-68.256-24.3259-20.2359
84.16071.6034-1.12683.1994-1.24314.6645-0.2017-1.94811.0307-0.0058-0.51070.15420.87230.26440.61560.5764-0.00440.1080.459-0.14290.5011-62.0162-22.7505-8.8488
94.5753-0.2785-0.60533.0645-0.21854.75590.41980.25631.03490.3978-0.06930.8376-0.6756-0.6503-0.1510.50430.01620.19940.4206-0.01680.5581-75.1367-25.2377-21.4673
106.65413.34561.26987.054-0.42416.17720.23622.0490.0156-0.05480.16370.30370.3416-0.0751-0.10340.23920.01830.04450.5847-0.03110.5341-74.8324-27.0283-36.3816
112.6019-1.21870.23172.9102-1.54230.86960.3556-0.3042-0.53190.0775-0.6361-0.2930.06810.40640.26630.5973-0.1751-0.19290.5657-0.00010.5372-42.9966-31.0094-7.6235
129.0634-0.88511.22273.5283-1.05561.33190.3409-0.0173-0.4176-0.556-0.1-0.26470.02130.4128-0.16040.5626-0.1223-0.0350.6708-0.04540.3694-45.0368-24.5029-22.9486
135.1906-1.4784-1.75181.8284-0.67452.92070.5633-0.24871.0670.31090.0598-1.2266-1.90740.7101-0.53990.8848-0.2409-0.070.4308-0.04110.4456-50.5763-22.1388-13.4033
140.5177-0.1194-0.02650.6546-0.82671.550.0496-0.19751.32950.9464-0.07230.34210.00210.41030.18590.7158-0.2402-0.06150.6455-0.19340.763-47.1887-21.6334-6.5713
154.7413-1.25941.57841.08131.58145.76-0.9819-0.21040.1286-1.5545-0.0397-0.81470.5773-0.7810.77470.924-0.0553-0.09070.8617-0.14671.1015-34.3948-29.5259-20.2391
160.0931-0.19110.12963.174-2.45512.38660.16910.27270.03482.11110.7328-0.32090.8445-0.9364-0.26270.7726-0.1676-0.05430.6628-0.23170.5222-46.0249-26.9095-2.6531
173.617-1.0560.09891.911-0.7643.09330.5226-0.0459-0.34370.7433-0.3076-0.24520.2297-0.168-0.2770.7393-0.17780.03760.4388-0.08260.4031-52.611-33.7644-12.5159
186.53291.69012.85612.3831-0.90212.9813-0.0535-0.4471-1.0505-0.3280.1176-1.096-0.07870.1534-0.41470.8181-0.2442-0.06850.5350.06410.7048-42.3666-34.5712-5.3481
190.86410.34130.47391.7933-0.32070.40520.2624-0.3757-0.0990.28330.0413-0.15-0.1566-0.05670.2740.6811-0.6515-0.83770.7406-0.42640.4584-32.961-24.4781-5.0309
202.5668-1.4698-1.74836.81760.03171.3485-0.2199-0.44860.24840.6139-0.462-0.8499-1.27350.8714-0.04070.1454-0.5904-0.99151.1182-0.3996-0.4449-31.1116-22.784-12.4734
213.4326-0.233-3.06486.5426-0.893.07411.18720.48751.5111-0.0009-0.1947-0.44430.0732-1.1401-0.38710.94450.14740.13250.8530.3861.1445-40.608128.331-26.4703
227.08930.1564-2.50712.00072.00175.7918-1.33451.4973-0.6256-0.59480.34761.1149-0.26470.60640.67471.10820.44310.03341.20230.18470.8214-45.002618.0096-32.1973
236.85360.97361.1623.4441-0.38328.11110.69531.6036-1.4710.18960.08470.47611.2851-0.567-1.10471.04070.0387-0.07811.25-0.06940.7078-43.9727.5553-32.1949
243.9172-0.70460.57543.41530.6184.01980.50440.46440.2229-0.3003-0.48880.1662-0.65721.0466-0.00740.70940.01060.18570.54580.06610.4758-36.954613.7587-19.1823
256.45963.50250.72114.7971-1.33321.14620.9742-0.07471.64271.42740.1916-2.04280.21351.0856-0.61170.79860.07210.10170.5775-0.04771.0331-34.154520.365-13.2691
265.03230.234-2.02015.5585-3.09284.2825-0.09680.03580.89740.53130.0513-1.2136-0.76670.14090.35230.8235-0.18380.2111.54130.18220.987-25.769718.1735-19.9949
271.2682-0.62150.68673.74971.18681.84260.18320.09160.7313-1.12380.5747-0.58040.3018-0.393-0.20380.9109-0.08010.2180.95610.41870.6996-35.894921.943-24.1639
283.88690.3156-0.33193.70370.73472.3727-0.4450.84010.7132-0.93350.42430.5284-0.2657-0.22050.05990.9950.14840.03330.5709-0.05320.5173-46.978913.78-21.5184
292.3919-0.1547-0.23410.6177-0.69393.076-1.4121.3452-0.8770.07970.95410.02960.9721-0.51470.25961.54990.00720.41441.48340.10780.6546-36.006213.6107-37.0197
301.71740.306-0.30061.3401-0.4930.20340.21950.9183-0.2699-0.48110.1889-0.40490.05160.1261-0.35251.39540.12670.28411.26230.41291.1263-32.366826.822-32.8516
315.40820.73332.06171.9924-1.71357.01710.8118-0.78520.45180.7274-0.1253-0.5450.6924-1.37270.13671.0777-0.1528-0.14351.47520.43750.7821-35.42521.7191-7.2786
321.8097-0.70341.49636.16810.31944.6397-0.28820.2164-0.57930.39610.22681.03750.6659-0.27350.04020.7654-0.00740.03710.5595-0.01150.7309-50.560.2023-13.1096
331.83381.11710.95494.2545-2.38162.9344-0.10170.169-0.11011.0932-0.3560.36080.13550.22890.49051.0514-0.07510.56160.6718-0.16881.126-68.9208-3.5843-6.7265
340.5193-1.02930.36992.54640.45072.05220.9436-0.66790.56410.41060.36880.7689-0.4534-0.0321-0.12110.64050.08720.38870.6101-0.10540.9973-75.592-15.9977-17.0484
354.66483.97554.06074.20321.48568.2079-0.16350.78151.2309-0.05790.10111.011-2.00151.4807-0.02870.96780.18420.31810.98610.11591.1605-71.9806-9.5149-29.2649
360.59940.43940.46820.54270.55080.44550.2225-0.4884-0.2483-0.0655-0.49661.02960.5591-0.22330.22280.9812-0.02180.20870.4805-0.09071.0874-62.84695.0086-12.1359
372.5049-1.0751-0.52670.74930.95522.7274-0.0803-0.6923-0.451-0.1156-0.05480.539-0.43140.1448-0.14980.7741-0.04040.11480.39280.08240.5049-45.4568.3048-11.662
381.13370.62051.39781.1050.18422.33110.3694-0.23820.00541.3508-0.4016-0.0919-0.40240.43170.19020.8665-0.0490.04160.93080.31320.7634-41.7766-5.8004-6.6041
394.2846-1.33181.28942.8678-1.98255.7537-0.38660.83120.1783-0.3792-0.1247-1.38050.37641.7380.50660.20470.0132-0.08530.5934-0.0360.491614.077131.1987-27.5637
401.4468-0.8358-0.95981.06981.00111.3048-0.2496-1.297-0.0931.0824-0.95020.04030.53790.3774-1.1417-0.36610.0027-0.17060.45630.01460.54667.228818.5087-16.6939
413.9210.5602-2.2498.29974.31624.8318-0.48450.2772-0.569-0.61340.91521.1083-0.4838-1.7711-0.22470.3047-0.1184-0.10870.74960.13630.7394-3.558814.4436-18.2014
425.9953-0.0661-1.79121.5862-0.83051.1399-0.06181.11410.1205-0.21850.050.5307-0.4054-0.25010.05660.3418-0.0722-0.0720.41760.08170.2944-2.816124.2999-18.4902
436.60571.21520.40956.71870.77239.1046-0.2119-0.0117-0.5678-0.3485-0.73390.5509-0.3213-0.11070.26170.3990.18370.09260.4034-0.04910.5335-1.521433.2628-21.1757
441.7914-1.51030.49055.1067-0.46161.7515-0.01020.0179-0.8373-0.42470.36730.04560.2818-0.1174-0.21510.2224-0.0335-0.00850.36060.06050.45065.037717.8675-23.64
455.68442.372-0.86491.99874.85422.75540.2721-0.41751.0628-0.1985-1.28331.677-0.3674-0.44020.52830.2943-0.0930.09340.6121-0.17120.65944.363935.2648-27.1683
462.17880.1765-1.08392.689-0.12622.14230.1445-0.3726-0.67380.5998-0.07320.2453-0.10580.48550.02830.2791-0.0555-0.10160.39590.0990.44346.302327.1976-12.4199
473.90950.0080.92652.66230.46762.5145-0.14080.9005-0.0820.6937-0.0848-0.44960.58290.20370.10580.34510.0115-0.01260.3839-0.02040.476310.450425.3685-28.5156
482.74982.41690.80463.047-1.86037.5251-0.03891.1174-0.305-1.0178-0.4252-0.6540.68510.00190.46340.30690.16230.07230.6970.12160.76628.200227.0783-40.8616
493.2731-0.2438-0.06143.7232-0.00831.03270.6887-0.720.44460.5982-0.46980.42410.91910.0152-0.19660.7231-0.09850.18130.7110.12610.4309-12.591730.2693-0.7896
509.24440.7460.21271.3655-0.56182.01690.41940.6149-1.69590.2936-0.6797-0.00450.6916-1.235-0.1630.6076-0.09810.0611.01920.10110.7536-16.497124.276-16.2421
512.7988-0.29920.63711.8122-0.39242.19840.0042-0.4238-0.72630.64440.3240.1693-0.3992-0.676-0.43140.5864-0.00020.17870.60060.15830.5864-7.90621.1666-5.2919
521.3951-1.4226-1.68591.82050.61915.56890.4818-1.0261.2847-0.02970.1044-0.1407-0.7664-0.7009-0.50320.60870.0725-0.30260.98730.06181.2373-22.729328.1387-13.3047
531.75130.9741-1.24215.36842.44122.93540.6722-0.83470.07591.5694-0.06450.7031-0.2317-0.8836-0.33390.7183-0.07480.2850.87770.14550.4749-8.991825.09682.9182
542.0231-0.0667-0.13637.9979-2.28715.07180.1749-0.65550.68151.66160.28650.1768-0.33710.0816-0.60080.7439-0.04210.03690.49920.02290.4889-2.184632.11960.6013
551.5458-0.5931.83163.1279-1.66945.1439-0.27570.8830.30850.4975-0.07960.0024-0.8638-0.65580.09080.3555-0.06420.11710.6110.06610.5433-6.801133.2197-11.3316
564.28141.2992-2.32311.2571-1.31891.95160.2096-0.82430.33160.13720.84520.6323-0.7867-0.2263-0.67731.1267-0.14020.38750.89820.08440.7575-11.053234.0740.7455
571.4291.45120.98481.92230.73080.86010.4673-0.2381-0.07380.81290.3732-0.3309-0.74760.28210.01321.0668-0.1540.40141.9377-0.0210.9522-19.581825.03596.4487
580.78570.58040.84022.3603-0.59991.6599-0.1937-0.49060.167-0.2368-0.21760.48150.3922-0.1234-0.02090.4552-0.30580.31761.51140.62191.1926-24.37921.993-1.5638
592.3505-0.1396-0.08532.96790.40914.17880.22571.0441-1.5605-0.4121-0.52660.0983-0.3189-2.53370.2340.6933-0.17050.02520.8363-0.28110.8321-23.028-22.8025-29.5307
604.8069-1.2881-0.64662.61110.99753.6015-0.78730.8078-0.42510.22130.35990.0091-0.94270.21670.16741.16070.06520.08821.04720.0020.5317-16.8123-6.9673-34.4155
611.1928-1.3495-0.20681.69520.4722.6821-0.1834-0.23510.3663-0.1431-0.39670.2419-0.4770.28060.32090.63090.04850.04230.6442-0.08860.352-23.5554-5.2166-19.7504
622.95130.2767-0.8454.4251.92611.17410.420.6250.6831-0.18180.23770.3271-0.0411-0.69050.09750.8940.1649-0.07760.6185-0.02170.301-29.7869-3.6777-24.8218
637.49290.7831-0.87942.8556-0.27065.10840.50330.4798-1.1617-0.1421-0.0514-0.06710.026-0.4115-0.38970.5999-0.0041-0.0460.3909-0.10550.4249-24.7269-16.0045-22.9084
649.23165.0209-3.42175.8775-0.73167.39110.2060.9628-0.4362-1.03770.7137-0.65960.03990.5031-0.42320.53810.04790.1740.829-0.20620.6355-10.6829-12.1981-26.935
652.592-0.298-0.84965.4654-1.56054.5823-0.23060.5426-0.1089-0.18270.0473-0.5964-0.3487-0.3040.11450.544-0.0020.08820.44750.08380.3674-14.3777-7.9415-23.541
664.88760.0076-0.48553.73581.12912.8057-0.09931.77091.083-0.8599-0.0752-0.72080.09010.22580.44331.52760.0007-0.12430.94120.3370.6586-23.32760.0747-35.7679
670.01020.0748-0.06051.3156-1.23351.13890.01151.44460.9375-0.67050.46260.4325-0.99761.3655-0.27381.2118-0.1764-0.14981.33570.11960.813-25.4447-7.4999-40.5352
682.27460.0174-0.91921.13762.46135.7370.17150.09680.4768-0.29220.20570.005-1.13030.13290.57661.80750.4690.07991.2577-0.47710.2674-29.3959-17.5298-38.5589
697.97514.5346-4.92185.3235-0.55544.86111.0836-0.47130.00282.44310.30410.33991.48881.6051-0.81080.99-0.25950.09880.879-0.14660.5131-23.5354-0.0964-7.5716
705.14940.3777-1.65783.2631.0734.00350.16971.66-0.42020.4288-0.1721-1.1737-1.29110.9188-0.16810.7451-0.1572-0.14810.52670.07730.9419-8.11861.0981-13.7967
713.37191.06632.28766.7155-0.62112.64620.0707-1.88760.4201-0.1096-0.4489-1.29440.19790.17290.38370.4532-0.0115-0.19220.70490.25651.021110.68422.452-10.4748
721.2682-0.6776-0.41244.1180.8352.89660.7101-0.26-1.28480.44140.2664-1.2688-0.01960.0257-0.58430.3138-0.0354-0.07650.52240.05390.72513.024515.7686-23.7849
732.6686-0.0154-0.58974.24920.10910.2714-0.3950.6024-1.8347-0.16540.3552-0.3124-0.3698-0.3656-0.12570.5296-0.0767-0.13420.66430.05990.81376.33735.6087-28.6778
742.00373.06051.66880.78050.34020.51650.9378-1.84980.2417-0.6687-0.5459-0.92910.4315-0.122-0.66150.7539-0.14340.14030.65190.18911.47133.7693-6.4681-14.8053
752.979-0.33280.53895.85510.41334.12230.4664-0.4506-0.4025-0.2243-1.43110.15010.55260.44320.64790.7292-0.1771-0.09490.44990.06130.5293-12.761-6.6557-13.8154
761.34861.50431.57295.3093-0.83913.73920.13530.20920.95821.06450.0475-0.5171-0.49770.8959-0.45731.0234-0.2748-0.06050.7453-0.0780.7242-16.33266.2781-5.5677
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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