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- PDB-9fsu: Yeast 20S proteasome with human beta1i (1-51) in complex with epo... -

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Basic information

Entry
Database: PDB / ID: 9fsu
TitleYeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor 16
Components
  • (Proteasome subunit alpha type- ...) x 6
  • (Proteasome subunit beta type- ...) x 7
  • Probable proteasome subunit alpha type-7
KeywordsHYDROLASE / Proteasome / Mutant / Human Chimeric Subunit / Structure-based Drug Development / Inhibitor / Binding Analysis
Function / homology
Function and homology information


spermatoproteasome complex / Proteasome assembly / proteasome core complex / proteasome core complex assembly / nuclear outer membrane-endoplasmic reticulum membrane network / Proteasome assembly / Cross-presentation of soluble exogenous antigens (endosomes) / TNFR2 non-canonical NF-kB pathway / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / proteasomal ubiquitin-independent protein catabolic process ...spermatoproteasome complex / Proteasome assembly / proteasome core complex / proteasome core complex assembly / nuclear outer membrane-endoplasmic reticulum membrane network / Proteasome assembly / Cross-presentation of soluble exogenous antigens (endosomes) / TNFR2 non-canonical NF-kB pathway / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / proteasomal ubiquitin-independent protein catabolic process / Regulation of PTEN stability and activity / CDK-mediated phosphorylation and removal of Cdc6 / FBXL7 down-regulates AURKA during mitotic entry and in early mitosis / KEAP1-NFE2L2 pathway / Neddylation / Orc1 removal from chromatin / MAPK6/MAPK4 signaling / proteasome storage granule / Antigen processing: Ubiquitination & Proteasome degradation / immune system process / proteasome endopeptidase complex / endopeptidase activator activity / proteasome core complex, beta-subunit complex / Ub-specific processing proteases / proteasome assembly / threonine-type endopeptidase activity / proteasome core complex, alpha-subunit complex / Neutrophil degranulation / proteasome complex / peroxisome / endopeptidase activity / proteasome-mediated ubiquitin-dependent protein catabolic process / mRNA binding / endoplasmic reticulum membrane / mitochondrion / extracellular exosome / nucleus / cytosol
Similarity search - Function
Proteasome beta subunit, C-terminal / Proteasome beta subunits C terminal / Proteasome subunit beta 4 / Proteasome subunit beta 2 / Proteasome beta 3 subunit / Proteasome subunit alpha5 / Proteasome subunit alpha6 / Proteasome beta-type subunits signature. / Peptidase T1A, proteasome beta-subunit / Proteasome beta-type subunit, conserved site ...Proteasome beta subunit, C-terminal / Proteasome beta subunits C terminal / Proteasome subunit beta 4 / Proteasome subunit beta 2 / Proteasome beta 3 subunit / Proteasome subunit alpha5 / Proteasome subunit alpha6 / Proteasome beta-type subunits signature. / Peptidase T1A, proteasome beta-subunit / Proteasome beta-type subunit, conserved site / Proteasome subunit A N-terminal signature / Proteasome alpha-type subunits signature. / Proteasome alpha-subunit, N-terminal domain / Proteasome subunit A N-terminal signature Add an annotation / Proteasome B-type subunit / Proteasome beta-type subunit profile. / : / Proteasome alpha-type subunit / Proteasome alpha-type subunit profile. / Proteasome subunit / Proteasome, subunit alpha/beta / Nucleophile aminohydrolases, N-terminal
Similarity search - Domain/homology
: / Probable proteasome subunit alpha type-7 / Proteasome subunit alpha type-1 / Proteasome subunit beta type-4 / Proteasome subunit alpha type-3 / Proteasome subunit alpha type-2 / Proteasome subunit beta type-6 / Proteasome subunit beta type-2 / Proteasome subunit beta type-3 / Proteasome subunit beta type-9 ...: / Probable proteasome subunit alpha type-7 / Proteasome subunit alpha type-1 / Proteasome subunit beta type-4 / Proteasome subunit alpha type-3 / Proteasome subunit alpha type-2 / Proteasome subunit beta type-6 / Proteasome subunit beta type-2 / Proteasome subunit beta type-3 / Proteasome subunit beta type-9 / Proteasome subunit beta type-5 / Proteasome subunit beta type-7 / Proteasome subunit alpha type-5 / Proteasome subunit beta type-1 / Proteasome subunit alpha type-6 / Proteasome subunit alpha type-4
Similarity search - Component
Biological speciesHomo sapiens (human)
Saccharomyces cerevisiae (brewer's yeast)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.75 Å
AuthorsMaurits, E. / Huber, E.M. / Dekker, P.M. / Wang, X. / Heinemeyer, W. / Florea, B.I. / Groll, M. / Overkleeft, H.S.
Funding support Germany, 1items
OrganizationGrant numberCountry
German Research Foundation (DFG)GR 1861/10-3 Germany
CitationJournal: To Be Published
Title: Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
Authors: Maurits, E. / Huber, E.M. / Dekker, P.M. / Wang, X. / Heinemeyer, W. / Florea, B.I. / Groll, M. / Overkleeft, H.S.
History
DepositionJun 21, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 30, 2025Provider: repository / Type: Initial release
Revision 1.1Sep 10, 2025Group: Structure summary / Category: struct / Item: _struct.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Proteasome subunit alpha type-2
B: Proteasome subunit alpha type-3
C: Proteasome subunit alpha type-4
D: Proteasome subunit alpha type-5
E: Proteasome subunit alpha type-6
F: Probable proteasome subunit alpha type-7
G: Proteasome subunit alpha type-1
H: Proteasome subunit beta type-2
I: Proteasome subunit beta type-3
J: Proteasome subunit beta type-4
K: Proteasome subunit beta type-5
L: Proteasome subunit beta type-6
M: Proteasome subunit beta type-7
N: Proteasome subunit beta type-9,Proteasome subunit beta type-1
O: Proteasome subunit alpha type-2
P: Proteasome subunit alpha type-3
Q: Proteasome subunit alpha type-4
R: Proteasome subunit alpha type-5
S: Proteasome subunit alpha type-6
T: Probable proteasome subunit alpha type-7
U: Proteasome subunit alpha type-1
V: Proteasome subunit beta type-2
W: Proteasome subunit beta type-3
X: Proteasome subunit beta type-4
Y: Proteasome subunit beta type-5
Z: Proteasome subunit beta type-6
a: Proteasome subunit beta type-7
b: Proteasome subunit beta type-9,Proteasome subunit beta type-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)734,69350
Polymers730,55428
Non-polymers4,13922
Water4,702261
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration, AU contains one biological assembly
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area125380 Å2
ΔGint-523 kcal/mol
Surface area217320 Å2
MethodPISA
Unit cell
Length a, b, c (Å)135.940, 301.900, 145.060
Angle α, β, γ (deg.)90.00, 113.05, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Proteasome subunit alpha type- ... , 6 types, 12 molecules AOBPCQDRESGU

#1: Protein Proteasome subunit alpha type-2 / Macropain subunit Y7 / Multicatalytic endopeptidase complex subunit Y7 / Proteasome component Y7 / ...Macropain subunit Y7 / Multicatalytic endopeptidase complex subunit Y7 / Proteasome component Y7 / Proteinase YSCE subunit 7


Mass: 27191.828 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P23639
#2: Protein Proteasome subunit alpha type-3 / Macropain subunit Y13 / Multicatalytic endopeptidase complex subunit Y13 / Proteasome component Y13 ...Macropain subunit Y13 / Multicatalytic endopeptidase complex subunit Y13 / Proteasome component Y13 / Proteinase YSCE subunit 13


Mass: 28748.230 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P23638
#3: Protein Proteasome subunit alpha type-4 / Macropain subunit PRE6 / Multicatalytic endopeptidase complex subunit PRE6 / Proteasome component ...Macropain subunit PRE6 / Multicatalytic endopeptidase complex subunit PRE6 / Proteasome component PRE6 / Proteinase YSCE subunit PRE6


Mass: 28478.111 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P40303
#4: Protein Proteasome subunit alpha type-5 / Macropain subunit PUP2 / Multicatalytic endopeptidase complex subunit PUP2 / Proteasome component ...Macropain subunit PUP2 / Multicatalytic endopeptidase complex subunit PUP2 / Proteasome component PUP2 / Proteinase YSCE subunit PUP2


Mass: 28649.086 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P32379
#5: Protein Proteasome subunit alpha type-6 / Macropain subunit PRE5 / Multicatalytic endopeptidase complex subunit PRE5 / Proteasome component ...Macropain subunit PRE5 / Multicatalytic endopeptidase complex subunit PRE5 / Proteasome component PRE5 / Proteinase YSCE subunit PRE5


Mass: 25634.000 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P40302
#7: Protein Proteasome subunit alpha type-1 / Macropain subunit C7-alpha / Multicatalytic endopeptidase complex C7 / Proteasome component C7- ...Macropain subunit C7-alpha / Multicatalytic endopeptidase complex C7 / Proteasome component C7-alpha / Proteasome component Y8 / Proteinase YSCE subunit 7 / SCL1 suppressor protein


Mass: 28033.830 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P21243

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Protein , 1 types, 2 molecules FT

#6: Protein Probable proteasome subunit alpha type-7 / Macropain subunit C1 / Multicatalytic endopeptidase complex subunit C1 / Proteasome component C1 / ...Macropain subunit C1 / Multicatalytic endopeptidase complex subunit C1 / Proteasome component C1 / Proteinase YSCE subunit 1


Mass: 31575.068 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P21242

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Proteasome subunit beta type- ... , 7 types, 14 molecules HVIWJXKYLZMaNb

#8: Protein Proteasome subunit beta type-2 / Macropain subunit PUP1 / Multicatalytic endopeptidase complex subunit PUP1 / Proteasome component ...Macropain subunit PUP1 / Multicatalytic endopeptidase complex subunit PUP1 / Proteasome component PUP1 / Proteinase YSCE subunit PUP1


Mass: 25114.459 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast)
References: UniProt: P25043, proteasome endopeptidase complex
#9: Protein Proteasome subunit beta type-3 / Macropain subunit PUP3 / Multicatalytic endopeptidase complex subunit PUP3 / Proteasome component PUP3


Mass: 22627.842 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P25451
#10: Protein Proteasome subunit beta type-4 / Macropain subunit C11 / Multicatalytic endopeptidase complex subunit C11 / Proteasome component C11 ...Macropain subunit C11 / Multicatalytic endopeptidase complex subunit C11 / Proteasome component C11 / Proteinase YSCE subunit 11


Mass: 22545.676 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P22141
#11: Protein Proteasome subunit beta type-5 / Macropain subunit PRE2 / Multicatalytic endopeptidase complex subunit PRE2 / Proteasome component ...Macropain subunit PRE2 / Multicatalytic endopeptidase complex subunit PRE2 / Proteasome component PRE2 / Proteinase YSCE subunit PRE2


Mass: 23224.146 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast)
References: UniProt: P30656, proteasome endopeptidase complex
#12: Protein Proteasome subunit beta type-6 / Multicatalytic endopeptidase complex subunit C5 / Proteasome component C5


Mass: 24883.928 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P23724
#13: Protein Proteasome subunit beta type-7 / Macropain subunit PRE4 / Multicatalytic endopeptidase complex subunit PRE4 / Proteasome component ...Macropain subunit PRE4 / Multicatalytic endopeptidase complex subunit PRE4 / Proteasome component PRE4 / Proteinase YSCE subunit PRE4


Mass: 27200.893 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / References: UniProt: P30657
#14: Protein Proteasome subunit beta type-9,Proteasome subunit beta type-1 / Low molecular mass protein 2 / Macropain chain 7 / Multicatalytic endopeptidase complex chain 7 / ...Low molecular mass protein 2 / Macropain chain 7 / Multicatalytic endopeptidase complex chain 7 / Proteasome chain 7 / Proteasome subunit beta-1i / Really interesting new gene 12 protein / Macropain subunit PRE3 / Multicatalytic endopeptidase complex subunit PRE3 / Proteasome component PRE3 / Proteinase YSCE subunit PRE3


Mass: 21369.938 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human), (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: PSMB9, LMP2, PSMB6i, RING12, PRE3, YJL001W, J1407 / Production host: Saccharomyces cerevisiae (brewer's yeast)
References: UniProt: P28065, UniProt: P38624, proteasome endopeptidase complex

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Non-polymers , 6 types, 283 molecules

#15: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Mg
#16: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#17: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#18: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO4
#19: Chemical
ChemComp-A1IFL / (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide / epoxyketone inhibitor 42


Mass: 719.865 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C36H57N5O10 / Source: (synth.) synthetic construct (others) / Feature type: SUBJECT OF INVESTIGATION
#20: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 261 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 3.74 Å3/Da / Density % sol: 67.15 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.8 / Details: 20 mM MgAC2, 13% MPD, 0.1 M MES

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 27, 2021
RadiationMonochromator: LN2 COOLED FIXED-EXIT. SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.75→30 Å / Num. obs: 269777 / % possible obs: 97 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.086 / Net I/σ(I): 10.3
Reflection shellResolution: 2.75→2.85 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 2 / Num. unique obs: 27968 / % possible all: 99.1

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Processing

Software
NameVersionClassification
REFMAC5.8.0267refinement
XDSdata reduction
XSCALEdata scaling
REFMACphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.75→30 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.941 / SU B: 37.864 / SU ML: 0.312 / Cross valid method: THROUGHOUT / ESU R: 0.538 / ESU R Free: 0.306 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.24523 13480 5 %RANDOM
Rwork0.20287 ---
obs0.20498 256128 97.07 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 78.049 Å2
Baniso -1Baniso -2Baniso -3
1-2.16 Å2-0 Å2-1.34 Å2
2---4.5 Å2-0 Å2
3---2.55 Å2
Refinement stepCycle: 1 / Resolution: 2.75→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms49547 0 67 261 49875
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01350515
X-RAY DIFFRACTIONr_bond_other_d0.0020.01547984
X-RAY DIFFRACTIONr_angle_refined_deg1.441.64668351
X-RAY DIFFRACTIONr_angle_other_deg1.2231.591110612
X-RAY DIFFRACTIONr_dihedral_angle_1_deg7.16656320
X-RAY DIFFRACTIONr_dihedral_angle_2_deg35.31422.8072547
X-RAY DIFFRACTIONr_dihedral_angle_3_deg16.083158730
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.02915286
X-RAY DIFFRACTIONr_chiral_restr0.0550.26646
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0257392
X-RAY DIFFRACTIONr_gen_planes_other0.0010.0211356
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it1.6314.30925364
X-RAY DIFFRACTIONr_mcbond_other1.6314.30925363
X-RAY DIFFRACTIONr_mcangle_it2.8346.45431656
X-RAY DIFFRACTIONr_mcangle_other2.8346.45431657
X-RAY DIFFRACTIONr_scbond_it1.5374.52325151
X-RAY DIFFRACTIONr_scbond_other1.5284.51825133
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other2.6946.68836672
X-RAY DIFFRACTIONr_long_range_B_refined5.18349.15653092
X-RAY DIFFRACTIONr_long_range_B_other5.18249.1553080
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 2.75→2.821 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.386 1012 -
Rwork0.39 19242 -
obs--99.3 %
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)
10.665-0.2580.03520.29280.00840.3429-0.02390.06490.03170.03140.034-0.1494-0.10650.0043-0.01010.8275-0.0363-0.05190.2023-0.06020.379767.0622-92.643246.1059
20.57040.00230.11180.25530.11610.447-0.0973-0.11260.0471-0.20650.0106-0.0305-0.08320.07390.08670.9068-0.05180.06940.19520.05850.305359.7588-88.366516.4031
30.50510.24280.07860.3814-0.10850.5304-0.01350.04820.1186-0.12030.1001-0.0340.01760.0616-0.08670.9504-0.0166-0.08130.15240.0890.329932.3711-87.9320.8935
40.70310.1384-0.09880.2075-0.02920.3714-0.0453-0.04910.0437-0.08520.01580.2529-0.0540.1120.02950.85050.0705-0.25830.09090.08740.45143.4425-91.008514.0737
50.48440.33150.06880.4783-0.27740.51990.0014-0.0670.0354-0.0202-0.03220.1369-0.1359-0.03710.03080.74470.0873-0.05740.1847-0.02720.4983-3.0336-94.977945.6375
60.80940.1572-0.06190.0544-0.03840.09740.0135-0.06410.0750.0547-0.02530.0784-0.07960.01490.01170.91660.05750.14230.2247-0.10710.299315.2826-95.745369.8726
70.3375-0.03650.15790.6742-0.08160.36520.0254-0.01740.03140.1031-0.0376-0.0792-0.0217-0.03130.01220.9289-0.0066-0.06360.1831-0.07960.28447.8111-93.946471.2206
80.02420.0433-0.04560.23990.0790.25940.05240.0053-0.01760.07210.0351-0.1811-0.0623-0.0316-0.08740.7806-0.001-0.09670.2437-0.06950.394267.9904-130.71148.4573
90.3781-0.2811-0.12811.00440.34980.1436-0.01360.0181-0.0106-0.13840.0802-0.191-0.1-0.0318-0.06660.817-0.02250.08520.2244-0.02820.364368.494-128.142720.9926
100.49250.06330.2430.8954-0.03410.15140.0463-0.00730.0568-0.2302-0.003-0.0166-0.0299-0.0068-0.04320.9294-0.00970.04060.24820.03470.224244.916-127.4407-0.7272
110.33830.25990.10171.11740.10080.12240.0768-0.0540.0683-0.2411-0.04240.2218-0.01970.0766-0.03440.86520.0178-0.29020.20830.03580.353411.0328-131.81882.4821
120.1525-0.17190.21750.3838-0.02860.79910.0658-0.0026-0.027-0.0209-0.02210.18180.00960.0242-0.04360.75630.0206-0.13740.18340.0460.4847-4.4886-135.340428.5776
130.5613-0.1803-0.04871.10680.20360.12860.0579-0.02740.01440.1434-0.0540.1792-0.02380.0699-0.00390.7746-0.00470.04140.25170.01440.3527.6086-137.214760.3201
140.6514-0.176-0.43481.19610.21450.40420.02680.01620.080.21960.0145-0.07890.05330.0389-0.04130.8570.0019-0.06430.2978-0.03610.215339.9951-134.954470.6537
150.7062-0.0621-0.20850.41280.06990.3436-0.06530.07440.0130.04860.02360.13490.1477-0.01590.04180.8365-0.1029-0.20750.09710.10080.46572.1999-207.715836.6988
160.58660.24510.17320.54090.10.4822-0.0602-0.05090.0014-0.1151-00.02380.0648-0.10350.06020.8499-0.0065-0.24250.1326-0.08990.40178.6947-206.63816.5953
170.63950.30690.06310.3474-0.00510.42270.17050.069-0.1344-0.1977-0.0030.19930.02920.0787-0.16761.06440.0741-0.34570.0561-0.12830.435736.1083-204.5838-9.3982
180.89480.0220.27560.53290.05390.09120.087-0.1542-0.011-0.317-0.0904-0.14720.0141-0.06590.00341.02920.14650.11920.1458-0.12370.299465.2075-203.79663.9158
190.75440.2272-0.31110.1675-0.12310.61750.1184-0.0023-0.16210.02710.0624-0.24090.098-0.008-0.18080.76110.1418-0.21580.0831-0.15040.619772.2668-205.270635.407
200.65720.37820.13330.23450.14910.52470.1388-0.0871-0.21360.0609-0.0342-0.1570.0927-0.0472-0.10460.9410.0436-0.35780.08380.09650.436654.4051-208.784459.6518
210.3267-0.0512-0.24850.56670.13840.46490.0207-0.0521-0.02060.04360.03720.12820.03460.0971-0.05790.9503-0.0247-0.18270.09470.11010.349321.9971-210.964261.139
220.13820.11020.15680.38910.03920.20990.0675-0.0199-0.03490.0382-0.01770.17890.088-0.0153-0.04980.7886-0.0386-0.10470.18880.07370.45491.4539-170.649945.5872
230.6582-0.12950.16880.9686-0.1220.2206-0.0313-0.0070.0091-0.20780.02930.21550.08750.05260.0020.7888-0.0506-0.2860.1553-0.01040.43880.3909-168.394418.0269
240.43-0.1509-0.20160.48640.07430.13970.0568-0.0197-0.077-0.1950.00410.0752-0.03330.0585-0.06090.95180.015-0.23650.1846-0.03690.288123.5239-165.1703-4.0318
250.24130.07230.10951.1469-0.13420.10220.0665-0.0807-0.0466-0.29810.0187-0.1028-0.0061-0.006-0.08520.8990.03830.11690.2613-0.09850.246757.4895-161.4888-0.4779
260.0522-0.1016-0.10110.5006-0.09680.67610.04020.02180.03330.0398-0.004-0.26250.0192-0.0653-0.03620.74980.0816-0.00920.2373-0.1010.429873.4725-162.563625.5868
270.5694-0.21030.13970.73720.01160.2008-0.0377-0.0161-0.06460.11250.0574-0.12350.0172-0.054-0.01970.80140.0361-0.2080.2143-0.01980.371962.0482-166.235657.3629
280.918-0.38750.27241.2960.28310.442-0.0617-0.004-0.07470.18330.02130.14160.0186-0.02790.04040.8835-0.0166-0.05180.20530.07890.257329.8707-170.288767.6688
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 250
2X-RAY DIFFRACTION2B1 - 244
3X-RAY DIFFRACTION3C1 - 241
4X-RAY DIFFRACTION4D1 - 242
5X-RAY DIFFRACTION5E1 - 233
6X-RAY DIFFRACTION6F1 - 244
7X-RAY DIFFRACTION7G1 - 243
8X-RAY DIFFRACTION8H1 - 222
9X-RAY DIFFRACTION9I1 - 204
10X-RAY DIFFRACTION10J1 - 196
11X-RAY DIFFRACTION11K2 - 212
12X-RAY DIFFRACTION12L1 - 222
13X-RAY DIFFRACTION13M1 - 224
14X-RAY DIFFRACTION14N2 - 196
15X-RAY DIFFRACTION15O1 - 250
16X-RAY DIFFRACTION16P1 - 244
17X-RAY DIFFRACTION17Q1 - 241
18X-RAY DIFFRACTION18R1 - 242
19X-RAY DIFFRACTION19S1 - 233
20X-RAY DIFFRACTION20T1 - 244
21X-RAY DIFFRACTION21U1 - 243
22X-RAY DIFFRACTION22V1 - 222
23X-RAY DIFFRACTION23W1 - 204
24X-RAY DIFFRACTION24X1 - 198
25X-RAY DIFFRACTION25Y2 - 212
26X-RAY DIFFRACTION26Z1 - 222
27X-RAY DIFFRACTION27a1 - 224
28X-RAY DIFFRACTION28b2 - 196

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