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- PDB-3un8: Yeast 20S proteasome in complex with PR-957 (epoxide) -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 3un8
TitleYeast 20S proteasome in complex with PR-957 (epoxide)
Components(Proteasome component ...) x 14
KeywordsHYDROLASE/HYDROLASE INHIBTIOR / Proteasome / antigen presentation / drug development / protein degradation / HYDROLASE-HYDROLASE INHIBTIOR complex
Function / homology
Function and homology information


proteasome core complex assembly / nuclear outer membrane-endoplasmic reticulum membrane network / Cross-presentation of soluble exogenous antigens (endosomes) / TNFR2 non-canonical NF-kB pathway / proteasomal ubiquitin-independent protein catabolic process / Ub-specific processing proteases / proteasome storage granule / endopeptidase activator activity / proteasome assembly / proteasome endopeptidase complex ...proteasome core complex assembly / nuclear outer membrane-endoplasmic reticulum membrane network / Cross-presentation of soluble exogenous antigens (endosomes) / TNFR2 non-canonical NF-kB pathway / proteasomal ubiquitin-independent protein catabolic process / Ub-specific processing proteases / proteasome storage granule / endopeptidase activator activity / proteasome assembly / proteasome endopeptidase complex / proteasome core complex, beta-subunit complex / proteasome core complex, alpha-subunit complex / threonine-type endopeptidase activity / Neutrophil degranulation / proteasome complex / proteasomal protein catabolic process / proteasome-mediated ubiquitin-dependent protein catabolic process / endopeptidase activity / mRNA binding / endoplasmic reticulum membrane / mitochondrion / nucleus / cytosol / cytoplasm
Similarity search - Function
Aminohydrolase, N-terminal nucleophile (Ntn) domain / Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 / Proteasome beta subunit, C-terminal / Proteasome beta subunits C terminal / Proteasome subunit beta 4 / Proteasome subunit beta 2 / Proteasome beta 3 subunit / Proteasome subunit alpha6 / Proteasome subunit alpha5 / Proteasome beta-type subunits signature. ...Aminohydrolase, N-terminal nucleophile (Ntn) domain / Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1 / Proteasome beta subunit, C-terminal / Proteasome beta subunits C terminal / Proteasome subunit beta 4 / Proteasome subunit beta 2 / Proteasome beta 3 subunit / Proteasome subunit alpha6 / Proteasome subunit alpha5 / 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 alpha-type subunit / Proteasome alpha-type subunit profile. / Proteasome B-type subunit / Proteasome beta-type subunit profile. / Proteasome subunit / Proteasome, subunit alpha/beta / Nucleophile aminohydrolases, N-terminal / 4-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-049 / 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-5 ...Chem-049 / 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-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 speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsHuber, E. / Basler, M. / Schwab, R. / Heinemeyer, W. / Kirk, C. / Groettrup, M. / Groll, M.
CitationJournal: Cell(Cambridge,Mass.) / Year: 2012
Title: Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Authors: Huber, E.M. / Basler, M. / Schwab, R. / Heinemeyer, W. / Kirk, C.J. / Groettrup, M. / Groll, M.
History
DepositionNov 15, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 29, 2012Provider: repository / Type: Initial release
Revision 1.1Mar 28, 2012Group: Database references
Revision 1.2Sep 13, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _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: Proteasome component Y7
B: Proteasome component Y13
C: Proteasome component PRE6
D: Proteasome component PUP2
E: Proteasome component PRE5
F: Proteasome component C1
G: Proteasome component C7-alpha
H: Proteasome component PUP1
I: Proteasome component PUP3
J: Proteasome component C11
K: Proteasome component PRE2
L: Proteasome component C5
M: Proteasome component PRE4
N: Proteasome component PRE3
O: Proteasome component Y7
P: Proteasome component Y13
Q: Proteasome component PRE6
R: Proteasome component PUP2
S: Proteasome component PRE5
T: Proteasome component C1
U: Proteasome component C7-alpha
V: Proteasome component PUP1
W: Proteasome component PUP3
X: Proteasome component C11
Y: Proteasome component PRE2
Z: Proteasome component C5
a: Proteasome component PRE4
b: Proteasome component PRE3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)729,03930
Polymers728,54028
Non-polymers4992
Water24,1401340
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)135.420, 300.420, 143.930
Angle α, β, γ (deg.)90.00, 112.83, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2given(-0.999492, -0.003755, 0.031639), (-0.001723, -0.985206, -0.171364), (0.031815, -0.171332, 0.9847)67.27201, -289.99969, -26.06637

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Components

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Proteasome component ... , 14 types, 28 molecules AOBPCQDRESFTGUHVIWJXKYLZMaNb

#1: Protein Proteasome component Y7 / / Macropain subunit Y7 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P23639, proteasome endopeptidase complex
#2: Protein Proteasome component Y13 / / Macropain subunit Y13 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P23638, proteasome endopeptidase complex
#3: Protein Proteasome component PRE6 / / Macropain subunit PRE6 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P40303, proteasome endopeptidase complex
#4: Protein Proteasome component PUP2 / / Macropain subunit PUP2 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P32379, proteasome endopeptidase complex
#5: Protein Proteasome component PRE5 / / Macropain subunit PRE5 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P40302, proteasome endopeptidase complex
#6: Protein Proteasome component C1 / / Macropain subunit C1 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P21242, proteasome endopeptidase complex
#7: Protein Proteasome component C7-alpha / / Macropain subunit C7-alpha / Multicatalytic endopeptidase complex C7 / Proteasome component Y8 / ...Macropain subunit C7-alpha / Multicatalytic endopeptidase complex C7 / 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) / Strain: ATCC 204508 / S288c
References: UniProt: P21243, proteasome endopeptidase complex
#8: Protein Proteasome component PUP1 / / Macropain subunit PUP1 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P25043, proteasome endopeptidase complex
#9: Protein Proteasome component PUP3 / / Macropain subunit PUP3 / Multicatalytic endopeptidase complex subunit PUP3


Mass: 22627.842 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / Strain: ATCC 204508 / S288c
References: UniProt: P25451, proteasome endopeptidase complex
#10: Protein Proteasome component C11 / / Macropain subunit C11 / Multicatalytic endopeptidase complex subunit 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) / Strain: ATCC 204508 / S288c
References: UniProt: P22141, proteasome endopeptidase complex
#11: Protein Proteasome component PRE2 / / Macropain subunit PRE2 / Multicatalytic endopeptidase complex subunit PRE2 / Proteinase YSCE subunit PRE2


Mass: 23325.248 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / Strain: ATCC 204508 / S288c
References: UniProt: P30656, proteasome endopeptidase complex
#12: Protein Proteasome component C5 / / Multicatalytic endopeptidase complex subunit C5


Mass: 24883.928 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / Strain: ATCC 204508 / S288c
References: UniProt: P23724, proteasome endopeptidase complex
#13: Protein Proteasome component PRE4 / / Macropain subunit PRE4 / Multicatalytic endopeptidase complex subunit PRE4 / Proteinase YSCE subunit PRE4


Mass: 25945.496 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / Strain: ATCC 204508 / S288c
References: UniProt: P30657, proteasome endopeptidase complex
#14: Protein Proteasome component PRE3 / / Macropain subunit PRE3 / Multicatalytic endopeptidase complex subunit PRE3 / Proteinase YSCE subunit PRE3


Mass: 21517.186 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Saccharomyces cerevisiae (brewer's yeast) / Strain: ATCC 204508 / S288c
References: UniProt: P38624, proteasome endopeptidase complex

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Non-polymers , 2 types, 1342 molecules

#15: Chemical ChemComp-049 / 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol


Mass: 249.306 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C14H19NO3
#16: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1340 / Source method: isolated from a natural source / Formula: H2O

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Details

Nonpolymer detailsTHE LIGAND 049 FOR CHAIN Y AND K PRESENTS A HEMIKETAL-FORMATION WITH THR1. THE EPOXIDE-RING IS INTACT

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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: 3.7 Å3/Da / Density % sol: 66.79 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.8
Details: 100 mM MES, 12% MPD, 20 mM MgAc2, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 2, 2011
RadiationMonochromator: double-crystal fixed-exit monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.7→30 Å / Num. all: 289516 / Num. obs: 286910 / % possible obs: 99.1 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.098 / Net I/σ(I): 11.3
Reflection shellResolution: 2.7→2.8 Å / Rmerge(I) obs: 0.596 / Mean I/σ(I) obs: 2.7 / % possible all: 98.7

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Processing

Software
NameClassification
XDSdata scaling
REFMACrefinement
XDSdata reduction
XSCALEdata scaling
REFMACphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: pdb entry 1RYP

1ryp


Resolution: 2.7→15 Å / Cor.coef. Fo:Fc: 0.932 / Cor.coef. Fo:Fc free: 0.915 / SU B: 26.971 / SU ML: 0.237 / Cross valid method: THROUGHOUT / ESU R Free: 0.285 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
RfactorNum. reflection% reflectionSelection details
Rfree0.23955 14346 5 %RANDOM
Rwork0.21717 ---
all0.224 286910 --
obs0.2183 272564 99.23 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 54.447 Å2
Baniso -1Baniso -2Baniso -3
1-2.18 Å20 Å2-0.79 Å2
2---5.66 Å20 Å2
3---2.87 Å2
Refinement stepCycle: LAST / Resolution: 2.7→15 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms49538 0 36 1340 50914
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0050.0250490
X-RAY DIFFRACTIONr_angle_refined_deg0.8321.96368308
X-RAY DIFFRACTIONr_dihedral_angle_1_deg3.97556340
X-RAY DIFFRACTIONr_dihedral_angle_2_deg34.60224.4082264
X-RAY DIFFRACTIONr_dihedral_angle_3_deg13.128158780
X-RAY DIFFRACTIONr_dihedral_angle_4_deg9.09715288
X-RAY DIFFRACTIONr_chiral_restr0.0560.27688
X-RAY DIFFRACTIONr_gen_planes_refined0.0030.02137978
X-RAY DIFFRACTIONr_rigid_bond_restr1.205350490
X-RAY DIFFRACTIONr_sphericity_free22.8075333
X-RAY DIFFRACTIONr_sphericity_bonded20.85550591
LS refinement shellResolution: 2.7→2.768 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.356 1015 -
Rwork0.324 19258 -
obs--98.56 %
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)
10.1665-0.0634-0.00090.1379-0.00430.0282-0.00170.00120.00390.01350.0046-0.0221-0.00990.0056-0.00290.0639-0.00690.00150.0154-0.00620.040267.1869-92.555445.6575
20.15560.05290.0090.0374-0.00760.1005-0.0115-0.00070.0092-0.01080.0062-0.011-0.00830.01980.00530.067-0.00470.0140.01430.00650.03859.5604-88.214916.2167
30.05190.0196-0.03680.0914-0.03940.1656-0.00690.01050.0167-0.01920.01020.0101-0.00780.018-0.00330.072500.00150.01730.01060.035332.2607-87.47690.9796
40.0134-0.0151-0.00660.0501-0.03680.11550.0044-0.00060.0042-0.01050.00750.0277-0.00060.0092-0.01190.0570.0091-0.01170.01180.01250.06243.6934-90.639414.4663
50.1326-0.01120.04720.0143-0.01940.121-0.00890.0018-0.00210.00240.00780.0227-0.0134-0.01710.0010.04620.01150.01640.01690.00110.0627-2.5914-94.256845.7845
60.14060.0085-0.02260.02380.03060.05310.0013-0.00350.01560.0187-0.00230.00960.0074-0.0060.0010.07530.00510.0380.0192-0.00650.02515.9043-95.05869.6799
70.0818-0.0217-0.0190.0737-0.03040.0521-0.002-0.01330.00570.02270.0026-0.01-0.0044-0.0053-0.00050.0892-0.00820.00290.0102-0.01010.027148.0817-93.595670.8084
80.0711-0.0115-0.02290.04830.02660.02160.01240.00970.01120.01860.0024-0.04360.0014-0.0072-0.01480.06140.0008-0.00490.0155-0.00030.048667.6658-130.372948.141
90.0225-0.0217-0.0470.17210.05160.11040.01250.00340.00670.003-0.0018-0.0352-0.0054-0.0005-0.01060.0530.00140.01330.0165-0.00260.046268.3551-127.805320.7846
100.1685-0.05490.06570.18860.05070.05620.0058-0.0037-0.01-0.0333-0.00040.0008-0.0103-0.0037-0.00540.0696-0.00070.01390.0207-0.00050.022944.8197-126.9228-1.0326
110.06460.03110.01990.120.00350.05810.00110.0070.0054-0.02550.01050.0246-0.01140.0062-0.01160.06140.0052-0.01680.02020.00470.038411.0442-131.1782.503
120.0754-0.00740.00060.0770.00110.0530.01390.00050.00930.0021-0.00740.030300.0009-0.00660.04270.0022-0.00480.01450.00510.0604-4.0204-134.562228.6658
130.09190.00480.03140.167-0.00530.06140.01830.00050.00680.0411-0.01160.0288-0.00060.0035-0.00670.0636-0.00360.02280.0183-0.00150.03867.9999-137.939460.3942
140.0892-0.0073-0.03220.1623-0.0430.05720.0024-0.0092-0.00140.03620.00810.0015-0.00520.002-0.01060.0739-0.00140.00310.0193-0.00410.006239.9225-134.369270.6228
150.1707-0.0492-0.0440.08660.01910.0567-0.003-0.00170.00160.01020.00640.01410.0155-0.0062-0.00330.0603-0.0102-0.00640.01270.01010.05212.0255-206.811336.7899
160.12430.00980.05210.0509-0.00360.1163-0.0095-0.0122-0.0027-0.00490.00620.0127-0.0029-0.01680.00320.066-0.002-0.01560.0096-0.00710.04528.7732-205.96436.7948
170.0318-0.00490.02930.0934-0.09520.12630.00680.0072-0.0117-0.03370.01260.01910.025-0.0083-0.01940.08260.0034-0.0060.0157-0.01570.032735.8533-204.1465-9.1597
180.0436-0.0594-0.00690.1-0.02220.11620.01310.0040.0162-0.0214-0.0035-0.02280.0185-0.0036-0.00960.05540.01550.02530.0192-0.01080.041664.7101-203.21943.9678
190.12460.0313-0.05310.024-0.02540.06650.00910.017-0.01810.01080.0028-0.02070.01110.01-0.01190.05030.0154-0.00560.0127-0.01180.064271.8052-204.879635.2086
200.10360.02750.05750.0339-0.02290.08910.0217-0.0069-0.03340.0131-0.0052-0.01650.0071-0.0019-0.01660.07910.006-0.02910.00670.01230.045353.8676-208.213659.3203
210.047-0.0370.01950.0323-0.01650.0396-0.0043-0.0062-0.0090.00650.00810.0175-0.00770.0116-0.00380.082-0.0045-0.00740.0110.0130.039121.7998-210.157861.0355
220.0796-0.02260.03290.0331-0.01360.01710.009-0.0006-0.00470.01090.00090.03560.0127-0.0003-0.00990.0557-0.0027-0.00060.01210.00360.05141.6653-169.949645.7186
230.0164-0.02220.03560.2017-0.04760.07990.00130.0013-0.0080.00850.00470.0361-0.00290.0048-0.0060.05850.002-0.01230.01180.00110.05480.3076-167.807418.3161
240.1073-0.0278-0.05730.1408-0.03070.04680.0059-0.0028-0.0021-0.0273-0.00020.0070.00340.0022-0.00570.07330.0014-0.01530.0176-0.00170.028823.2887-164.8782-4.0089
250.10580.0385-0.00520.0973-0.01570.0110.00160.0108-0.0072-0.0270.009-0.01540.00150.0046-0.01060.05560.00790.02840.023-0.00770.02557.1568-161.2108-0.7632
260.0577-0.0192-0.02150.07310.00250.1060.00910.0075-0.0120.0042-0.0018-0.0282-0.0030.0035-0.00730.04390.0050.00810.016-0.00560.057372.8652-162.30425.1563
270.0842-0.01890.02070.11690.00930.06820.0179-0.0005-0.01350.0337-0.0043-0.02560.0059-0.005-0.01350.0694-0.003-0.01530.01190.00320.042661.6304-164.396657.3249
280.15590.00750.0350.14650.08440.11440.0103-0.0062-0.00230.02020.01070.00270.0112-0.0042-0.0210.073-0.00350.00490.01570.00930.010829.9576-169.785367.7273
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 250
2X-RAY DIFFRACTION1A251 - 1338
3X-RAY DIFFRACTION2B1 - 244
4X-RAY DIFFRACTION2B258 - 1315
5X-RAY DIFFRACTION3C1 - 241
6X-RAY DIFFRACTION3C253 - 1328
7X-RAY DIFFRACTION4D1 - 242
8X-RAY DIFFRACTION4D253 - 1334
9X-RAY DIFFRACTION5E1 - 233
10X-RAY DIFFRACTION5E234 - 1301
11X-RAY DIFFRACTION6F1 - 244
12X-RAY DIFFRACTION6F285 - 1341
13X-RAY DIFFRACTION7G1 - 243
14X-RAY DIFFRACTION7G244 - 1293
15X-RAY DIFFRACTION8H1 - 222
16X-RAY DIFFRACTION8H233 - 1308
17X-RAY DIFFRACTION9I1 - 204
18X-RAY DIFFRACTION9I205 - 1342
19X-RAY DIFFRACTION10J1 - 198
20X-RAY DIFFRACTION10J199 - 1335
21X-RAY DIFFRACTION11K1 - 212
22X-RAY DIFFRACTION11K213
23X-RAY DIFFRACTION11K214 - 1333
24X-RAY DIFFRACTION12L1 - 222
25X-RAY DIFFRACTION12L223 - 1322
26X-RAY DIFFRACTION13M1 - 233
27X-RAY DIFFRACTION13M234 - 1332
28X-RAY DIFFRACTION14N1 - 196
29X-RAY DIFFRACTION14N197 - 1230
30X-RAY DIFFRACTION15O1 - 250
31X-RAY DIFFRACTION15O251 - 1323
32X-RAY DIFFRACTION16P1 - 244
33X-RAY DIFFRACTION16P258 - 1337
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