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- PDB-4v9e: Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein... -

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Basic information

Entry
Database: PDB / ID: 4v9e
TitleCrystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer Bound to Single-stranded RNA.
Components
  • 35-mer poly(U) RNA
  • Nucleocapsid protein
KeywordsVIRAL PROTEIN/RNA / nucleocapsid protein / N protein / ribonucleoprotein / viral nucleoprotein / RNA binding / virus / RNP / VIRAL PROTEIN-RNA complex
Function / homology
Function and homology information


viral nucleocapsid / host cell endoplasmic reticulum-Golgi intermediate compartment / host cell Golgi apparatus / ribonucleoprotein complex / host cell nucleus / RNA binding / identical protein binding
Similarity search - Function
Nucleocapsid, Phlebovirus/Tenuivirus / Nucleocapsid, Phlebovirus / Tenuivirus/Phlebovirus nucleocapsid protein
Similarity search - Domain/homology
RNA / RNA (> 10) / Nucleoprotein
Similarity search - Component
Biological speciesRift Valley fever virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.4 Å
AuthorsRaymond, D.D. / Smith, J.L.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: Phleboviruses encapsidate their genomes by sequestering RNA bases.
Authors: Raymond, D.D. / Piper, M.E. / Gerrard, S.R. / Skiniotis, G. / Smith, J.L.
History
DepositionSep 19, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 9, 2014Provider: repository / Type: Initial release
SupersessionDec 10, 2014ID: 4H6F, 4H6G
Revision 1.1Dec 10, 2014Group: Other
Revision 1.2Sep 20, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
AA: Nucleocapsid protein
AB: Nucleocapsid protein
AC: Nucleocapsid protein
AD: Nucleocapsid protein
AE: Nucleocapsid protein
AF: Nucleocapsid protein
AG: Nucleocapsid protein
AH: Nucleocapsid protein
AI: Nucleocapsid protein
AJ: Nucleocapsid protein
AK: Nucleocapsid protein
AL: Nucleocapsid protein
AM: Nucleocapsid protein
AN: Nucleocapsid protein
AO: Nucleocapsid protein
AP: Nucleocapsid protein
AQ: Nucleocapsid protein
AR: Nucleocapsid protein
Aa: 35-mer poly(U) RNA
Ag: 35-mer poly(U) RNA
Am: 35-mer poly(U) RNA
BA: Nucleocapsid protein
BB: Nucleocapsid protein
BC: Nucleocapsid protein
BD: Nucleocapsid protein
BE: Nucleocapsid protein
BF: Nucleocapsid protein
BG: Nucleocapsid protein
BH: Nucleocapsid protein
BI: Nucleocapsid protein
BJ: Nucleocapsid protein
BK: Nucleocapsid protein
BL: Nucleocapsid protein
BM: Nucleocapsid protein
BN: Nucleocapsid protein
BO: Nucleocapsid protein
BP: Nucleocapsid protein
BQ: Nucleocapsid protein
BR: Nucleocapsid protein
Ba: 35-mer poly(U) RNA
Bg: 35-mer poly(U) RNA
Bm: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)1,051,05842
Polymers1,051,05842
Non-polymers00
Water00
1
AA: Nucleocapsid protein
AB: Nucleocapsid protein
AC: Nucleocapsid protein
AD: Nucleocapsid protein
AE: Nucleocapsid protein
AF: Nucleocapsid protein
Aa: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35600 Å2
ΔGint-320 kcal/mol
Surface area58340 Å2
MethodPISA
2
AG: Nucleocapsid protein
AH: Nucleocapsid protein
AI: Nucleocapsid protein
AJ: Nucleocapsid protein
AK: Nucleocapsid protein
AL: Nucleocapsid protein
Ag: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35860 Å2
ΔGint-321 kcal/mol
Surface area57960 Å2
MethodPISA
3
AM: Nucleocapsid protein
AN: Nucleocapsid protein
AO: Nucleocapsid protein
AP: Nucleocapsid protein
AQ: Nucleocapsid protein
AR: Nucleocapsid protein
Am: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area34960 Å2
ΔGint-318 kcal/mol
Surface area59370 Å2
MethodPISA
4
BA: Nucleocapsid protein
BB: Nucleocapsid protein
BC: Nucleocapsid protein
BD: Nucleocapsid protein
BE: Nucleocapsid protein
BF: Nucleocapsid protein
Ba: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35590 Å2
ΔGint-326 kcal/mol
Surface area58080 Å2
MethodPISA
5
BG: Nucleocapsid protein
BH: Nucleocapsid protein
BI: Nucleocapsid protein
BJ: Nucleocapsid protein
BK: Nucleocapsid protein
BL: Nucleocapsid protein
Bg: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35620 Å2
ΔGint-323 kcal/mol
Surface area58690 Å2
MethodPISA
6
BM: Nucleocapsid protein
BN: Nucleocapsid protein
BO: Nucleocapsid protein
BP: Nucleocapsid protein
BQ: Nucleocapsid protein
BR: Nucleocapsid protein
Bm: 35-mer poly(U) RNA


Theoretical massNumber of molelcules
Total (without water)175,1767
Polymers175,1767
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area34720 Å2
ΔGint-319 kcal/mol
Surface area59490 Å2
MethodPISA
Unit cell
Length a, b, c (Å)91.660, 173.330, 172.900
Angle α, β, γ (deg.)119.950, 99.340, 90.120
Int Tables number1
Space group name H-MP1

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Components

#1: Protein ...
Nucleocapsid protein


Mass: 27366.547 Da / Num. of mol.: 36
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rift Valley fever virus / Strain: ZH-501 / Gene: N / Plasmid: pSUMO / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 Ai/prare2 / References: UniProt: D3K5I7
#2: RNA chain
35-mer poly(U) RNA


Mass: 10977.009 Da / Num. of mol.: 6 / Fragment: SEE REMARK 999 / Source method: obtained synthetically
Sequence detailsEACH RNA CHAIN WAS ORIGINALLY MODELED AS SIX ISOLATED HEXAMERS.

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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: 44.76 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 24% PEG3350, 350 mM ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD
Details: K-B pair of biomorph mirrors for vertical and horizontal focusing
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.4→149.472 Å / Num. all: 117933 / Num. obs: 117933 / % possible obs: 94.7 % / Observed criterion σ(F): 2 / Redundancy: 1.9 % / Rsym value: 0.19 / Net I/σ(I): 4
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured allNum. unique allRsym value% possible all
3.4-3.581.90.5131.331220167520.51392.3
3.58-3.81.90.3861.829799159930.38692.8
3.8-4.061.90.2862.328316150940.28693.3
4.06-4.391.90.1913.226831142590.19194.8
4.39-4.811.90.1614.325670133700.16196.1
4.81-5.381.90.1843.823533121080.18496.6
5.38-6.2120.164.420752106260.1696.6
6.21-7.620.1116.31764390200.11196.6
7.6-10.7520.0488.21361469420.04896.5
10.75-57.4171.90.053.5734337690.0595.6

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Processing

Software
NameVersionClassificationNB
MOSFLMdata reduction
SCALA3.3.20data scaling
BUSTER-TNTBUSTER 2.10.0refinement
PDB_EXTRACT3.11data extraction
Blu-IceEpicsdata collection
PHASERphasing
BUSTER2.10.0refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3LYF

3lyf


Resolution: 3.4→57.42 Å / Cor.coef. Fo:Fc: 0.7979 / Cor.coef. Fo:Fc free: 0.7723 / Occupancy max: 1 / Occupancy min: 1 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.617
RfactorNum. reflection% reflectionSelection details
Rfree0.2399 5935 5.03 %SHELL
Rwork0.2246 ---
obs0.2254 117932 94.72 %-
Displacement parametersBiso max: 188.66 Å2 / Biso mean: 70.4665 Å2 / Biso min: 17.7 Å2
Baniso -1Baniso -2Baniso -3
1--19.8577 Å25.0466 Å2-4.8864 Å2
2--14.5611 Å2-5.0849 Å2
3---5.2966 Å2
Refine analyzeLuzzati coordinate error obs: 0.776 Å
Refinement stepCycle: LAST / Resolution: 3.4→57.42 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms33876 2160 0 0 36036
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d33768SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes1656HARMONIC2
X-RAY DIFFRACTIONt_gen_planes10296HARMONIC5
X-RAY DIFFRACTIONt_it73764HARMONIC20
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion9720SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact81810SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d73764HARMONIC20.008
X-RAY DIFFRACTIONt_angle_deg100368HARMONIC20.85
X-RAY DIFFRACTIONt_omega_torsion1.51
X-RAY DIFFRACTIONt_other_torsion2.88
LS refinement shellResolution: 3.4→3.49 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.2674 1 0.01 %
Rwork0.2392 8436 -
all0.2392 8437 -
obs--94.72 %
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)
1-0.85050.30971.9358-0.112-0.43362.8860.0270.1616-0.0461-0.02110.0496-0.0095-0.06620.0185-0.07660.2040.02580.0384-0.18940.0656-0.0011-15.986157.347812.8134
25.0516-2.99131.87810.8068-0.17974.38410.0644-0.0303-0.0458-0.1717-0.0433-0.1336-0.03520.2502-0.0211-0.0925-0.00110.2035-0.31870.06060.379-6.258517.558918.8358
34.9774-0.26641.22437.55470.93784.50990.0795-0.0001-0.0268-0.07360.0013-0.0197-0.2811-0.1378-0.08080.19710.15290.1032-0.27680.1074-0.1816-27.72226.684420.8334
40.667-1.55751.03532.2207-0.5814-0.5753-0.02040.00820.1161-0.0310.00250.0783-0.01410.04160.01790.02910.0240.2592-0.08480.0252-0.0067-24.014680.083651.4933
52.00221.72233.74183.51410.04913.0440.0217-0.0191-0.06180.0521-0.0557-0.0936-0.12840.140.0340.2162-0.1330.3025-0.31060.04290.1443-6.698658.862822.0598
65.49580.20020.57184.3942-0.190112.40770.0289-0.0852-0.0568-0.1769-0.10110.236-0.1045-0.21630.07220.21980.17370.2459-0.48230.1942-0.183-28.849455.232228.3399
7-0.5005-1.03861.30221.4567-0.13050.1357-0.0172-0.04240.12380.0203-0.03220.0468-0.0318-0.04080.04940.1812-0.11460.0712-0.21830.0077-0.046-32.426157.068290.291
86.6947-1.733-2.15191.87781.18771.6102-0.0188-0.02290.14160.07910.0265-0.0441-0.00720.1093-0.0077-0.2131-0.10010.1412-0.1495-0.0240.3698-13.988373.757.3447
93.4245-1.902-0.53987.2813-0.07362.70810.0576-0.1990.1293-0.067-0.19950.06280.2911-0.00120.1419-0.00230.00450.0338-0.1836-0.0397-0.0215-35.101163.849456.6769
10-0.4546-2.24381.11351.9548-2.33241.0413-0.0248-0.20830.06110.03260.06240.01590.0915-0.0669-0.03760.161-0.0478-0.0676-0.1180.0549-0.1312-32.972612.174389.1481
113.69762.7782-1.98037.21511.8271-0.2876-0.0025-0.02770.01180.0427-0.0229-0.0580.07220.32310.02540.0894-0.2362-0.1023-0.0192-0.1004-0.0619-21.088750.11289.6357
124.4063-1.8244-1.0797.63073.21993.97860.10910.0576-0.237-0.2209-0.08540.0631-0.032-0.0797-0.0237-0.0585-0.1369-0.035-0.09270.0573-0.1743-39.638243.210877.4861
130.4411-1.4324-1.12721.5608-0.9922-0.04180.0107-0.0928-0.038-0.0360.00020.02280.0045-0.0314-0.01090.0824-0.0594-0.0383-0.03530.1077-0.0266-26.6959-11.373150.2904
143.40350.61072.68872.0081-1.18744.49510.0342-0.11170.00210.154-0.0124-0.2506-0.00230.0628-0.02180.00790.1344-0.18550.12010.0608-0.0456-20.717511.980284.2591
156.35291.5309-1.16762.3302-0.62134.56610.0378-0.00810.0138-0.0853-0.0186-0.02540.13910.0307-0.01920.0562-0.01180.0198-0.0955-0.0318-0.1292-38.954113.987269.8259
161.3330.79941.2507-1.32650.80982.27030.03140.1405-0.0929-0.0818-0.0368-0.02250.0081-0.00810.00540.12040.0182-0.0114-0.14540.0303-0.0027-16.550711.71612.8071
172.5921-1.3815-0.29755.7547-0.1647-0.56540.0459-0.1428-0.11470.01820.1106-0.2869-0.09560.0302-0.15650.07790.1195-0.0653-0.13030.08940.1501-14.7165-6.300148.1761
185.84765.55361.318210.5534-3.23284.9676-0.0210.12930.25660.152-0.1155-0.2507-0.1508-0.15480.1365-0.12810.14120.0422-0.10220.0308-0.1245-33.52975.852441.8414
190.4916-1.0503-1.4426-1.72671.29291.78040.03480.0489-0.1109-0.0871-0.0093-0.0256-0.0350.0035-0.02550.16090.08620.0386-0.2140.09930.09710.63312.048-86.4383
204.4052-0.48532.38386.19060.35143.02570.047-0.0897-0.09450.08340.0115-0.20250.03860.1049-0.0584-0.11930.17430.0132-0.21620.05130.3485.0081-3.819-48.1234
216.27142.75870.22284.26291.85377.51610.06150.0969-0.1254-0.0625-0.13280.0855-0.0833-0.02830.0713-0.24880.09940.0553-0.06040.09670.0804-14.72275.6204-56.2277
221.406-0.38150.21091.7722-0.9122-0.78610.00440.1547-0.0189-0.03260.0585-0.0066-0.0129-0.0386-0.06290.1028-0.0296-0.0207-0.03680.07030.02580.706756.8462-85.7722
232.8592-0.51811.76782.13342.95995.31160.0303-0.03830.0046-0.07410.0524-0.0997-0.04590.2075-0.0827-0.0337-0.03130.13790.0376-0.05590.066511.053618.775-81.8289
245.37491.11222.6246.91724.03986.9579-0.0053-0.10980.21260.10760.13020.2553-0.0171-0.0612-0.1249-0.15520.08690.211-0.21450.0342-0.0292-10.63126.1397-77.2052
25-0.1687-2.1690.58291.5922-1.2515-1.22-0.02560.06510.1269-0.05270.00140.1168-0.0040.01910.02420.1036-0.04780.0387-0.15380.160.0768-8.067580.6526-46.6619
266.2688-3.8338-0.61020.5998-1.69082.0023-0.01520.10330.1305-0.0074-0.0036-0.2281-0.08640.05640.0188-0.16740.06180.17850.0570.1380.175810.038457.1198-76.585
275.6049-2.75483.02494.45160.37847.76970.04250.21720.08520.14110.16560.0148-0.1143-0.0322-0.2081-0.3734-0.08770.10470.0170.080.0766-12.260355.4673-70.2348
280.7251-0.0067-1.36351.37451.13751.5832-0.0164-0.15340.11520.0235-0.01960.02260.0093-0.10.0360.0910.08310.1243-0.1703-0.03870.0576-15.194757.6422-9.4865
2910.0184-0.5229-3.77681.525-0.71983.8512-0.03250.01190.23760.03510.1223-0.2380.08780.101-0.0898-0.11670.07810.0542-0.11970.07370.13761.998975.0361-40.2475
307.4862-1.3191-0.38948.4126-1.14073.1911-0.0754-0.0355-0.1236-0.10510.07840.07010.2533-0.3519-0.0030.2661-0.0305-0.1646-0.2687-0.2137-0.2482-18.18463.7715-42.075
310.4574-2.91383.2281.09780.09211.6090.0238-0.06690.02120.04590.02650.0381-0.0354-0.0275-0.05040.13980.1956-0.0455-0.1042-0.01560.0733-14.494811.2263-8.7282
325.127-1.9539-0.03390.81590.94943.00640.064-0.0741-0.11030.0889-0.0507-0.09090.11640.1395-0.01330.18030.1153-0.0479-0.153-0.0318-0.0216-3.685851.1357-10.4604
334.8948-1.2597-2.07787.51190.28514.62350.014-0.04240.09790.0711-0.02160.0920.1996-0.08290.00770.2418-0.0991-0.062-0.2037-0.0829-0.2584-22.563842.6529-20.9767
34-0.52612.50141.49433.9052-0.3452-1.56980.0146-0.1193-0.2079-0.0479-0.01780.03720.0673-0.03140.00320.1211-0.0059-0.0713-0.19670.022-0.0129-6.4637-10.2064-46.6691
356.31440.4398-1.97810.2109-0.83114.0355-0.0155-0.03450.0258-0.0512-0.0935-0.36520.06760.14590.1090.1792-0.1091-0.13180.0313-0.0107-0.1762-2.323110.5429-13.3482
369.59931.7627-2.53550.97630.43119.02610.10070.1036-0.0529-0.1879-0.16460.1458-0.2312-0.14280.0640.13720.1371-0.0801-0.3570.0413-0.1235-20.36113.8439-27.677
370.91082.0167-2.2043.695-1.1262-1.9595-0.00470.0133-0.042-0.04030.0087-0.01340.0354-0.0106-0.0040.1615-0.26250.0661-0.05680.045-0.0998-25.3823-86.58730.723
383.94331.42490.85533.368-1.7217-1.12730.0363-0.0685-0.0124-0.006-0.07910.28380.0313-0.12620.0428-0.012-0.23120.19220.0407-0.10490.057-28.8743-91.8341-9.7534
394.1881-1.8020.12562.49075.72169.2517-0.0234-0.0460.18560.05160.04880.00970.16680.167-0.02530.3574-0.02820.0633-0.48250.0937-0.1635-10.3317-82.03320.5983
401.6360.7238-1.65141.5479-0.7230.40650.0009-0.10510.04790.03340.0415-0.00620.0371-0.0879-0.04240.0769-0.04070.0674-0.18940.07720.1338-28.4901-43.359245.2796
414.02113.9488-0.43321.1940.97530.00220.00990.05810.0269-0.0430.04810.0947-0.0446-0.1547-0.058-0.0303-0.30210.10640.040.01280.1856-36.3286-79.877427.7753
425.0405-2.5442-0.812511.38753.41185.345-0.0207-0.04790.27610.07560.0238-0.14050.12690.0157-0.00310.1114-0.15570.0623-0.2731-0.0369-0.3569-15.5914-69.140327.078
43-0.40351.0010.84951.57610.6211.97180.0204-0.08110.0501-0.05180.0224-0.1205-0.0607-0.0163-0.04280.1476-0.0173-0.0033-0.09090.0664-0.0799-22.3645-8.588915.8148
445.87491.5601-1.62110.5166-0.3777-0.05430.03670.04840.0221-0.0205-0.09730.19820.0176-0.14080.0606-0.1072-0.01610.23640.08430.16510.1178-38.5077-40.843136.8273
454.2478-0.58621.65526.1418-1.76796.27910.06390.11310.1925-0.0772-0.0805-0.17440.0220.06360.0167-0.11650.13550.0944-0.1110.1664-0.0066-16.3339-39.105229.4973
460.7696-2.4867-1.87141.0113-1.2742-1.0774-0.00280.06690.0623-0.00370.0035-0.0394-0.02150.0732-0.00060.10070.15340.0271-0.1574-0.01610.0578-13.126-17.2984-28.4053
476.1895-1.94540.18333.4137-2.9367-1.78650.02830.0454-0.0521-0.1472-0.06840.2826-0.0573-0.09340.0401-0.03120.3071-0.054-0.0830.12630.0993-32.1269-12.32337.7739
484.3992-0.62590.30564.1094.582410.35160.0795-0.0607-0.05780.04370.00730.0121-0.12930.0063-0.0868-0.04620.1333-0.0348-0.31390.0433-0.0388-10.9393-22.09465.2798
490.09124.5983-0.60811.44340.86763.3185-0.00050.08140.0103-0.01190.0147-0.01650.02010.0403-0.01410.1838-0.0574-0.0477-0.13220.0301-0.0212-10.7041-61.0027-42.973
504.7175-3.35450.2467-0.98972.66694.26530.01960.04850.0218-0.19320.10810.18170.0261-0.2052-0.1277-0.0129-0.0215-0.1432-0.23690.01420.2567-24.3696-24.0382-29.7184
515.59790.8997-0.5165.46972.58515.64940.0025-0.0347-0.2076-0.17850.10740.14050.17980.1273-0.10990.0494-0.0892-0.0702-0.2603-0.016-0.043-5.3319-34.95-21.3312
520.3506-0.7522-1.02414.35550.22781.23570.01530.07080.0033-0.0066-0.0164-0.04150.04-0.01450.00110.2124-0.01320.0312-0.25550.02450.0245-16.8682-95.7661-13.1957
533.1812-2.64942.44741.6516-1.48353.4006-0.00310.0329-0.0346-0.1117-0.04610.22960.0872-0.19250.04910.0841-0.1396-0.0564-0.16520.25870.1208-23.168-63.2421-39.1281
545.072-0.7167-0.12959.013-4.16944.53810.0777-0.20270.06470.0638-0.0633-0.1107-0.0538-0.0928-0.01440.0163-0.12570.0091-0.2345-0.0689-0.1677-5.6263-64.9468-23.733
55-0.48-0.58020.86560.74250.60774.06240.0397-0.0979-0.043-0.01240.0467-0.0273-0.07880.0487-0.08640.1703-0.0609-0.0219-0.17780.09290.023526.36257.6048-20.3306
563.2567-0.72421.1742.35340.41551.92210.05850.029-0.01060.1204-0.0610.1311-0.0041-0.22340.0025-0.08150.05060.1876-0.2670.10520.375217.067617.5151-26.2965
574.567-1.33483.58216.64361.38787.0680.1176-0.076-0.01410.1194-0.00870.0689-0.30830.2711-0.1089-0.1118-0.01250.2005-0.18490.01760.085738.499226.5926-28.2779
580.22591.0833-0.37490.93151.30550.818-0.0276-0.03080.09470.0179-0.0125-0.04520.0104-0.02950.04020.0186-0.06490.17520.018-0.04470.042534.516779.8715-58.845
593.268-1.13691.10991.7175-0.30674.27910.03670.0409-0.065-0.0873-0.05070.0908-0.1287-0.16480.0140.31110.21610.1876-0.34490.13930.008617.223458.8165-29.5573
603.1259-1.9128-0.66474.8504-0.843413.4613-0.0030.0962-0.09520.1921-0.0508-0.1122-0.13140.30280.05370.2698-0.07840.1465-0.3623-0.0839-0.223139.353355.2616-35.8238
61-1.5537-1.72334.20893.9758-1.8126-1.45080.02180.02550.11340.0462-0.04130.0448-0.07040.08270.01940.13630.17760.0344-0.17660.06620.025543.034356.7018-97.7106
625.76370.6193-2.31914.9171.79042.9716-0.00990.03980.0526-0.0642-0.00010.070.0486-0.14910.01-0.10290.17610.165-0.22810.10260.310124.471773.4815-64.7906
636.19942.4473-0.52976.70952.60941.51890.05860.12780.01440.0313-0.1457-0.10740.14450.01610.0871-0.0140.0740.1737-0.09070.0473-0.031145.577563.5963-64.0872
641.120.1133-3.0390.76821.5691.2191-0.0110.20120.0296-0.02580.0598-0.01970.07930.0629-0.04870.09350.06470.0144-0.06620.0314-0.014143.781511.9481-96.6685
652.6384-0.1509-0.99153.27630.05053.3086-0.00980.0110.0275-0.0931-0.0202-0.03470.0488-0.29260.030.17370.2632-0.1128-0.02890.084-0.143431.649549.8468-97.1915
664.13711.4175-2.4416.48590.10824.61920.0958-0.0976-0.21560.13820.0914-0.1965-0.0180.0347-0.1872-0.0360.2136-0.0616-0.1820.11550.008350.217342.8562-84.9542
670.78010.0707-2.0381-0.31650.58190.0433-0.0003-0.0139-0.03420.00390.00320.03260.02120.004-0.00290.04850.14590.1235-0.02420.00750.012936.3158-86.8737-38.1118
681.8205-1.67521.15112.143-0.43754.02930.00780.10620.0417-0.0125-0.0056-0.2536-0.02180.1635-0.00220.01310.19590.1797-0.1350.15910.004740.0626-91.73132.3356
693.01860.3416-2.30935.5213-2.46218.4051-0.0297-0.0420.07660.02160.01880.0590.056-0.1180.01080.31370.10510.0771-0.42930.0486-0.121621.3643-82.1187-8.0514
702.482-1.504-0.68010.5669-0.60070.91570.00680.0774-0.0108-0.013-0.0270.0137-0.03410.0150.02020.04930.05320.0692-0.16130.08750.054639.5259-43.5263-52.5958
711.9599-1.7844-0.20190.3551-0.308-0.08250.0015-0.05310.00490.07020.074-0.0865-0.02080.1492-0.0755-0.06350.12770.16130.00610.03860.117347.3814-80.0964-35.1111
725.70041.6217-1.09679.0523-4.8193.88910.02050.01550.1552-0.07860.02810.1186-0.01230.0582-0.04860.17960.22480.1308-0.37090.0533-0.227126.6778-69.332-34.4901
73-0.519-0.74581.30141.31620.29450.60410.0179-0.00720.04470.06750.00840.0622-0.083-0.0124-0.02630.076-0.08420.0909-0.1769-0.03890.103533.2025-8.5191-23.4047
746.3742-1.64120.55410.16880.34620.69640.0352-0.03180.04050.0931-0.0927-0.2362-0.03010.11980.0575-0.12480.01670.27970.0728-0.02990.150949.4662-40.8637-44.277
753.84643.24190.12736.94042.03855.00420.1032-0.22960.14280.0157-0.04840.07530.023-0.0448-0.0548-0.0065-0.03110.1315-0.0975-0.0997-0.131627.2253-39.2546-36.9657
76-0.31830.06550.7326-0.97891.40672.2656-0.0087-0.04440.11570.0456-0.00660.0282-0.0037-0.07520.01530.12730.0044-0.0055-0.19180.10780.110823.9388-17.143720.9299
774.987-0.62-0.6238-0.43940.7531.17490.0502-0.0787-0.13480.1744-0.0182-0.2482-0.02890.0362-0.032-0.031-0.2837-0.02480.0915-0.00850.081442.8735-12.37-15.2748
784.03670.1442-1.47414.3128-4.826410.03530.0623-0.0337-0.0448-0.00150.0221-0.0654-0.0643-0.0382-0.0844-0.00820.0458-0.0507-0.2836-0.0116-0.0421.7415-22.1032-12.7632
790.3289-0.77831.00311.02950.86443.81520.0077-0.0688-0.0130.00710.0150.00330.0048-0.0516-0.02270.16230.0174-0.1071-0.058-0.0397-0.052821.7357-60.958435.5166
805.73311.92871.53762.0812-1.79341.56240.02230.01990.05180.12060.1026-0.11290.03220.2674-0.1249-0.00870.077-0.1646-0.15480.08830.279935.2161-23.909722.1227
815.6668-1.4802-0.83925.2639-2.09056.32760.061-0.0687-0.29770.10730.1092-0.09960.07420.0913-0.17030.08060.09330.0091-0.33240.0706-0.021216.2167-34.926813.8322
820.3164-1.5186-0.93291.226-0.68921.31990.0067-0.08110.0034-0.00080.01440.03750.0266-0.023-0.02110.0912-0.02840.0789-0.11510.1020.062528.0355-95.77065.8477
832.94420.41153.07540.80123.13644.38040.0098-0.0321-0.06440.0634-0.0672-0.25920.04520.18070.05740.04550.1951-0.056-0.0249-0.14510.014534.1616-63.233631.6562
843.5896-0.4897-1.56158.16992.66657.10130.05790.05420.0139-0.04030.04370.0762-0.0806-0.0124-0.10160.18750.1180.0035-0.36730.0246-0.133416.6388-64.899916.2402
85-0.13261.33990.24030.0415-0.01350.94390.0209-0.0132-0.13060.0978-0.0120.031-0.05210.0109-0.00890.1251-0.09990.0591-0.1280.04230.01510.213412.295378.8286
863.44180.75814.46235.5142-0.72582.5020.0569-0.0427-0.08160.05450.01930.18670.0163-0.0914-0.0761-0.1053-0.0016-0.1122-0.2303-0.00260.33756.0015-3.635540.6462
874.1583-3.12481.4516.20962.52477.98660.1186-0.1904-0.1626-0.2172-0.15650.0513-0.12370.10980.038-0.1689-0.04160.1021-0.14090.0785-0.017325.58435.932548.7262
88-1.12321.46342.63261.73690.39312.8796-0.0049-0.18840.01030.00570.05360.00440.0155-0.0189-0.04870.0981-0.04720.0360.0113-0.01860.008210.073657.23578.326
890.5994-1.30082.45012.3657-1.27863.78180.0533-0.0122-0.0185-0.06230.05580.0964-0.0663-0.2522-0.1091-0.22030.06880.27150.09560.15840.1978-0.153519.098774.3177
904.4748-1.84821.99134.9038-4.93146.9028-0.08980.08560.3152-0.10190.2222-0.22070.0433-0.035-0.1325-0.2036-0.08050.1936-0.1182-0.05310.008421.447526.464869.7231
91-0.6967-0.02511.77932.03770.3050.3654-0.0079-0.05460.09990.0186-0.0332-0.06940.0047-0.02590.04110.0523-0.0661-0.0033-0.1764-0.05980.142618.590980.751839.2328
928.17242.0909-1.28892.54860.76080.75460.0119-0.04570.06680.0236-0.05750.1663-0.004-0.03380.0455-0.08830.11560.0577-0.0830.0110.11540.558757.392469.2496
934.0691.09220.96986.7031-0.67627.8386-0.0084-0.05870.2468-0.06520.1578-0.0578-0.00490.0478-0.1495-0.2640.07710.0685-0.0988-0.11420.026722.857655.739762.8149
940.54490.3605-1.42181.7241-1.14420.0087-0.01810.08490.1394-0.0644-0.04370.00520.01120.06650.06180.07050.06850.0623-0.1070.09560.06925.766757.66441.939
957.8321-0.218-1.37082.44390.6724.35050.01560.01770.02560.03820.05330.1398-0.01390.025-0.06880.028-0.04640.0262-0.0846-0.00040.03098.6175.092832.8768
964.30331.04610.80478.31212.0513.093-0.0923-0.03340.02490.0801-0.0253-0.10440.27680.18960.11750.22290.1608-0.0403-0.26810.149-0.169828.811263.835134.6426
972.28941.51060.33221.3974-1.01920.32590.02140.0202-0.0374-0.02770.0319-0.0359-0.03350.0561-0.05340.1516-0.06320.0041-0.06930.06940.077625.188111.36941.0994
984.7233-0.18091.267-1.55770.9562.98710.07240.0144-0.1104-0.0686-0.05390.06690.1314-0.0356-0.01850.1960.0015-0.0756-0.22950.05770.123414.266551.15793.0453
995.41131.3878-1.55795.4715-0.73174.20140.04090.08870.0266-0.05320.0337-0.10350.18170.0986-0.07470.31880.14170.0558-0.3930.1902-0.084433.169642.716513.5733
1000.2527-0.7064-0.51394.0958-0.8626-1.4040.02860.1298-0.12450.0339-0.0680.02290.02960.00140.03930.16480.08060.0128-0.29180.06820.11617.3855-10.014639.2326
1014.4745-1.7958-2.73521.37640.39294.07060.00970.00850.00730.0578-0.07330.20930.0169-0.19630.06360.13770.1679-0.0505-0.15630.18580.079213.046810.62955.9145
1028.9052-1.7898-3.81374.0890.42339.20490.0689-0.13120.07460.1054-0.1525-0.0726-0.136-0.00260.0836-0.00930.0379-0.1955-0.34370.0895-0.038731.083413.871220.1738
1033.0714.2045-1.4536-2.84082.33652.83370.03370.0707-0.0398-0.0424-0.0246-0.002-0.00120.014-0.00920.05220.0265-0.00670.118-0.06420.024737.6273-11.518-57.7069
1042.01220.02051.08751.76611.85233.83370.04150.15-0.0646-0.0774-0.07750.1420.0081-0.08470.036-0.0054-0.0524-0.21440.0696-0.04720.077431.515311.6139-91.8132
1056.1249-0.95520.24425.0819-2.1885.73290.0911-0.0873-0.07250.0673-0.0634-0.0120.064-0.1198-0.0276-0.04530.0097-0.0051-0.08260.1449-0.190549.716913.692-77.3683
1060.04241.29921.7001-0.93920.84572.45480.0058-0.11410.00050.0086-0.03480.0470.0221-0.00170.02910.10890.00560.0654-0.17380.14190.085427.284911.8612-20.2387
1073.4261-0.18690.13294.8795-0.1493-1.39330.04320.1318-0.05290.01770.05950.22-0.1166-0.0651-0.1027-0.0541-0.0502-0.1186-0.1828-0.01610.313425.6139-6.5594-55.6758
1086.2508-5.07730.918611.46361.19664.63170.0072-0.07310.0961-0.1892-0.14680.1905-0.1750.12960.1395-0.1735-0.08070.0664-0.10920.0819-0.062244.31165.6846-49.3483
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{AA|5 - 30}AA5 - 30
2X-RAY DIFFRACTION2{AA|35 - 112}AA35 - 112
3X-RAY DIFFRACTION3{AA|113 - 245}AA113 - 245
4X-RAY DIFFRACTION4{AB|5 - 30}AB5 - 30
5X-RAY DIFFRACTION5{AB|35 - 112}AB35 - 112
6X-RAY DIFFRACTION6{AB|113 - 245}AB113 - 245
7X-RAY DIFFRACTION7{AC|5 - 30}AC5 - 30
8X-RAY DIFFRACTION8{AC|35 - 111}AC35 - 111
9X-RAY DIFFRACTION9{AC|112 - 245}AC112 - 245
10X-RAY DIFFRACTION10{AD|5 - 30}AD5 - 30
11X-RAY DIFFRACTION11{AD|35 - 111}AD35 - 111
12X-RAY DIFFRACTION12{AD|112 - 245}AD112 - 245
13X-RAY DIFFRACTION13{AE|5 - 30}AE5 - 30
14X-RAY DIFFRACTION14{AE|35 - 112}AE35 - 112
15X-RAY DIFFRACTION15{AE|113 - 245}AE113 - 245
16X-RAY DIFFRACTION16{AF|5 - 30}AF5 - 30
17X-RAY DIFFRACTION17{AF|35 - 112}AF35 - 112
18X-RAY DIFFRACTION18{AF|113 - 245}AF113 - 245
19X-RAY DIFFRACTION19{AG|5 - 30}AG5 - 30
20X-RAY DIFFRACTION20{AG|35 - 111}AG35 - 111
21X-RAY DIFFRACTION21{AG|112 - 245}AG112 - 245
22X-RAY DIFFRACTION22{AH|5 - 30}AH5 - 30
23X-RAY DIFFRACTION23{AH|35 - 111}AH35 - 111
24X-RAY DIFFRACTION24{AH|112 - 245}AH112 - 245
25X-RAY DIFFRACTION25{AI|5 - 30}AI5 - 30
26X-RAY DIFFRACTION26{AI|35 - 112}AI35 - 112
27X-RAY DIFFRACTION27{AI|113 - 245}AI113 - 245
28X-RAY DIFFRACTION28{AJ|5 - 30}AJ5 - 30
29X-RAY DIFFRACTION29{AJ|35 - 112}AJ35 - 112
30X-RAY DIFFRACTION30{AJ|113 - 245}AJ113 - 245
31X-RAY DIFFRACTION31{AK|5 - 30}AK5 - 30
32X-RAY DIFFRACTION32{AK|35 - 112}AK35 - 112
33X-RAY DIFFRACTION33{AK|113 - 245}AK113 - 245
34X-RAY DIFFRACTION34{AL|5 - 30}AL5 - 30
35X-RAY DIFFRACTION35{AL|35 - 112}AL35 - 112
36X-RAY DIFFRACTION36{AL|113 - 245}AL113 - 245
37X-RAY DIFFRACTION37{AM|5 - 30}AM5 - 30
38X-RAY DIFFRACTION38{AM|35 - 112}AM35 - 112
39X-RAY DIFFRACTION39{AM|113 - 245}AM113 - 245
40X-RAY DIFFRACTION40{AN|5 - 30}AN5 - 30
41X-RAY DIFFRACTION41{AN|35 - 112}AN35 - 112
42X-RAY DIFFRACTION42{AN|113 - 245}AN113 - 245
43X-RAY DIFFRACTION43{AO|5 - 30}AO5 - 30
44X-RAY DIFFRACTION44{AO|35 - 112}AO35 - 112
45X-RAY DIFFRACTION45{AO|113 - 245}AO113 - 245
46X-RAY DIFFRACTION46{AP|5 - 30}AP5 - 30
47X-RAY DIFFRACTION47{AP|35 - 112}AP35 - 112
48X-RAY DIFFRACTION48{AP|113 - 245}AP113 - 245
49X-RAY DIFFRACTION49{AQ|5 - 30}AQ5 - 30
50X-RAY DIFFRACTION50{AQ|35 - 111}AQ35 - 111
51X-RAY DIFFRACTION51{AQ|112 - 245}AQ112 - 245
52X-RAY DIFFRACTION52{AR|5 - 30}AR5 - 30
53X-RAY DIFFRACTION53{AR|35 - 111}AR35 - 111
54X-RAY DIFFRACTION54{AR|112 - 245}AR112 - 245
55X-RAY DIFFRACTION55{BI|5 - 30}BI5 - 30
56X-RAY DIFFRACTION56{BI|35 - 112}BI35 - 112
57X-RAY DIFFRACTION57{BI|113 - 245}BI113 - 245
58X-RAY DIFFRACTION58{BJ|5 - 30}BJ5 - 30
59X-RAY DIFFRACTION59{BJ|35 - 112}BJ35 - 112
60X-RAY DIFFRACTION60{BJ|113 - 245}BJ113 - 245
61X-RAY DIFFRACTION61{BK|5 - 30}BK5 - 30
62X-RAY DIFFRACTION62{BK|35 - 111}BK35 - 111
63X-RAY DIFFRACTION63{BK|112 - 245}BK112 - 245
64X-RAY DIFFRACTION64{BL|5 - 30}BL5 - 30
65X-RAY DIFFRACTION65{BL|35 - 111}BL35 - 111
66X-RAY DIFFRACTION66{BL|112 - 245}BL112 - 245
67X-RAY DIFFRACTION67{BM|5 - 30}BM5 - 30
68X-RAY DIFFRACTION68{BM|35 - 112}BM35 - 112
69X-RAY DIFFRACTION69{BM|113 - 245}BM113 - 245
70X-RAY DIFFRACTION70{BN|5 - 30}BN5 - 30
71X-RAY DIFFRACTION71{BN|35 - 112}BN35 - 112
72X-RAY DIFFRACTION72{BN|113 - 245}BN113 - 245
73X-RAY DIFFRACTION73{BO|5 - 30}BO5 - 30
74X-RAY DIFFRACTION74{BO|35 - 112}BO35 - 112
75X-RAY DIFFRACTION75{BO|113 - 245}BO113 - 245
76X-RAY DIFFRACTION76{BP|5 - 30}BP5 - 30
77X-RAY DIFFRACTION77{BP|35 - 112}BP35 - 112
78X-RAY DIFFRACTION78{BP|113 - 245}BP113 - 245
79X-RAY DIFFRACTION79{BQ|5 - 30}BQ5 - 30
80X-RAY DIFFRACTION80{BQ|35 - 112}BQ35 - 112
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