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- PDB-8za0: Crystal structure of OR4K15 ribozyme -

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Basic information

Entry
Database: PDB / ID: 8za0
TitleCrystal structure of OR4K15 ribozyme
Components(RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')) x 2
KeywordsRNA / ribozyme / OR4K15
Function / homologyRNA / RNA (> 10)
Function and homology information
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.96 Å
AuthorsRen, Y. / Huang, L.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)32171191 China
CitationJournal: Nucleic Acids Res. / Year: 2025
Title: A general strategy for engineering GU base pairs to facilitate RNA crystallization.
Authors: Ren, Y. / Lin, X. / Liao, W. / Peng, X. / Deng, J. / Zhang, Z. / Zhan, J. / Zhou, Y. / Westhof, E. / Lilley, D.M.J. / Wang, J. / Huang, L.
History
DepositionApr 24, 2024Deposition site: PDBJ / Processing site: PDBC
Revision 1.0Mar 19, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
B: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
C: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
D: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
E: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
F: RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)29,87911
Polymers29,7576
Non-polymers1225
Water2,612145
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)72.082, 36.570, 113.940
Angle α, β, γ (deg.)90.000, 91.290, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

#1: RNA chain RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')


Mass: 4862.954 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#2: RNA chain RNA (5'-R(*UP*CP*UP*GP*GP*GP*CP*CP*AP*GP*GP*CP*AP*GP*G)-3')


Mass: 5056.087 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 145 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
Has protein modificationN

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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: 2.32 Å3/Da / Density % sol: 47 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop
Details: 0.1 M Sodium Cacodylate pH 5.6 1.5 M Sodium Acetate trihydrate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.978557 Å
DetectorType: DECTRIS EIGER2 X 4M / Detector: PIXEL / Date: Aug 29, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978557 Å / Relative weight: 1
ReflectionResolution: 1.96→56.96 Å / Num. obs: 21733 / % possible obs: 100 % / Redundancy: 6.1 % / Biso Wilson estimate: 32.09 Å2 / CC1/2: 0.995 / Net I/σ(I): 5.9
Reflection shellResolution: 1.96→2.01 Å / Num. unique obs: 1609 / CC1/2: 0.657

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PHENIX1.20.1_4487refinement
PROCORdata reduction
PROCORdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.96→56.96 Å / SU ML: 0.217 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 29.8609
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2298 1068 4.96 %
Rwork0.2031 20484 -
obs0.2045 21552 99.16 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 33.78 Å2
Refinement stepCycle: LAST / Resolution: 1.96→56.96 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms0 1965 5 145 2115
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01572193
X-RAY DIFFRACTIONf_angle_d2.08693408
X-RAY DIFFRACTIONf_chiral_restr0.0902456
X-RAY DIFFRACTIONf_plane_restr0.014993
X-RAY DIFFRACTIONf_dihedral_angle_d10.68671086
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.96-2.050.29971430.30572538X-RAY DIFFRACTION99.55
2.05-2.160.34111510.27762521X-RAY DIFFRACTION99.66
2.16-2.290.28531120.27572580X-RAY DIFFRACTION99.7
2.29-2.470.30021320.25762528X-RAY DIFFRACTION99.44
2.47-2.720.31831210.2652600X-RAY DIFFRACTION99.71
2.72-3.110.27321220.23242519X-RAY DIFFRACTION97.2
3.11-3.920.18521400.15632543X-RAY DIFFRACTION98.64
3.92-56.960.16871470.15142655X-RAY DIFFRACTION99.4
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.0724428409877-0.239386667833-1.317640332380.386715833611-0.07337375937544.89580237333-0.05687585116-0.1579278719680.016359733010.07712272334940.05208952411360.008838753593480.4070769457660.336081624169-0.008988800897590.2492503857930.03358060418210.004565959219930.3444320145890.03039676693470.209936484388-15.877691802-0.70151611135821.5080161636
23.80124246922-0.0551212091276-0.007959577583123.19764203812-2.835773211515.535560715510.0902215102705-0.0519246740493-0.173865869418-0.159549313614-0.1560390360920.6551882105480.703884175026-0.01175350111680.05929809973540.3246845692390.01233582498810.06412996738650.220692869741-0.03293862047220.208723463842-21.6482386869-4.359085636830.9792616336
33.33501714504-0.3793555185841.787716522343.34751340453-1.675632879991.608984099930.420536534180.04518451176920.0535464555723-0.3167556176080.0566549805951-0.3884389714010.1045891505460.163234711967-0.4355561544290.4989622894720.005364312205280.005638105097880.40263471921-0.002027276006770.214960444397-15.62179791612.8146950411619.5772296998
42.476931710870.533912108797-0.9718924218873.39906986707-4.556493849666.324234030230.2106993659850.222476017249-0.0317453824751-0.3910084321730.1686105359010.2285766619980.3087050507970.0977043187953-0.3152471317330.268948616697-0.0142649643367-0.04527788364490.332118500577-0.001554034257730.205668892328-19.1641206389-1.979074536584.65369227734
50.0819972998784-0.2342516131071.064234661710.362017245688-1.727351239814.92801808530.0811191120390.04630048430920.04477007765060.1225321837930.1187768083770.0919245445904-0.3476312746-0.165965896167-0.2410512252750.3212607750030.06186817544610.01223056770520.4158588792240.02918101082680.25801727751-30.319846890615.24153885716.6414182956
63.88947722885-0.519803946601-1.429121668671.69376900018-0.1662577078243.4339678372-0.160337130837-0.7891568092580.4838707370130.1831758588250.05222016663340.0961128428562-0.2052839071870.8423105081990.0949704358380.190238717629-0.0132807494702-0.06663517400640.2721552188040.04337647433550.244924779473-30.703898710121.71700533596.81122602157
72.10669416644-0.0172684870718-1.270869946062.02208060014-0.09957345353330.853200750687-0.02379918589370.151168345294-0.08245896549390.08850429418330.153562117231-0.164406698701-0.2041310267750.12187681033-0.1635449219170.3575131984230.00734270509155-0.003314919728890.4970153618150.01954390807340.216599372501-32.959020902512.910532576918.6879985425
87.591526625693.31066215488-2.154216882066.29513520049-2.452399711234.961767088780.259281610456-0.5076593137850.5707758485440.3497229242250.2414034741670.307331445419-0.750555098336-0.213170701497-0.4711851123090.3733514435360.04853946937190.05639809373740.313116366586-0.01548238194780.20866859858-31.140430809718.866438629933.4603079585
9-0.0227055312938-0.22527770761-0.909412552372-0.5591863079460.5012228358587.799916192060.08952087743860.0528913077756-0.124531274646-0.0359644176183-0.0330538131840.05131163717150.371225991806-0.580847032692-0.0933487296510.381321729878-0.0666391551534-0.03203541728560.2902128350810.0248954730940.247509318181-24.9749043557.8571121452454.7307994238
105.46661988089-1.512387547293.083917403911.95809217386-1.771174296594.12079006522-0.192166619485-0.484759391059-0.7684166722140.4548075509130.2812341774390.248250759891-0.191540835119-0.153948658285-0.08905248922070.248487700033-0.00571862077505-0.0206256371580.310295930046-0.03004561705390.261190923528-28.53311414613.9712436561544.7324527633
111.4050050837-0.561760718171-0.04358908211311.517701278340.0365587854947-0.02129792143290.265289047969-0.4388468977170.2290455182910.129553144563-0.071631959132-0.172178222326-0.007086294973140.342627484449-0.09583821350120.4699027251160.02851914739860.0429214556630.379365147789-0.02078129605040.204723273779-20.7499615817.0786920230456.932713204
127.10472389412-2.124227965421.626475111125.85270940292-0.5382259294533.556708422350.0339815615441-0.0441734669115-0.09929849614080.1099981955340.07957678471820.08311982294370.411100708499-0.427058437881-0.0312752590870.308780950207-0.02878886010.02718312869150.3446065336930.01601802793470.23359915219-28.93560518126.0554648820971.7785523515
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 15 )AA1 - 15
2X-RAY DIFFRACTION2chain 'B' and (resid 1 through 5 )BB1 - 5
3X-RAY DIFFRACTION3chain 'B' and (resid 6 through 10 )BB6 - 10
4X-RAY DIFFRACTION4chain 'B' and (resid 11 through 16 )BB11 - 16
5X-RAY DIFFRACTION5chain 'C' and (resid 1 through 15 )CC1 - 15
6X-RAY DIFFRACTION6chain 'D' and (resid 1 through 5 )DD1 - 5
7X-RAY DIFFRACTION7chain 'D' and (resid 6 through 10 )DD6 - 10
8X-RAY DIFFRACTION8chain 'D' and (resid 11 through 16 )DD11 - 16
9X-RAY DIFFRACTION9chain 'E' and (resid 1 through 15 )EE1 - 15
10X-RAY DIFFRACTION10chain 'F' and (resid 1 through 5 )FF1 - 5
11X-RAY DIFFRACTION11chain 'F' and (resid 6 through 10 )FF6 - 10
12X-RAY DIFFRACTION12chain 'F' and (resid 11 through 16 )FF11 - 16

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