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- PDB-4u7u: Crystal structure of RNA-guided immune Cascade complex from E.coli -

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Basic information

Entry
Database: PDB / ID: 4u7u
TitleCrystal structure of RNA-guided immune Cascade complex from E.coli
Components
  • (CRISPR system Cascade subunit ...) x 5
  • crRNA
KeywordsRNA BINDING PROTEIN/RNA / RNA BINDING PROTEIN-RNA complex
Function / homology
Function and homology information


CRISPR-cas system / DNA/RNA hybrid binding / maintenance of CRISPR repeat elements / RNA processing / RNA endonuclease activity / defense response to virus / nucleic acid binding / Hydrolases; Acting on ester bonds / protein-containing complex / DNA binding ...CRISPR-cas system / DNA/RNA hybrid binding / maintenance of CRISPR repeat elements / RNA processing / RNA endonuclease activity / defense response to virus / nucleic acid binding / Hydrolases; Acting on ester bonds / protein-containing complex / DNA binding / RNA binding / zinc ion binding
Similarity search - Function
CRISPR-associated protein Cse2 / Crispr-associated protein; domain 1 / Crispr-associated protein; domain 2 / Alpha-Beta Plaits - #2660 / CRISPR-associated protein, CT1975 / CT1975-like protein / CRISPR-associated protein, CasD / CRISPR-associated protein Cse2 / Cse2 superfamily / CRISPR-associated protein Cse2 (CRISPR_cse2) ...CRISPR-associated protein Cse2 / Crispr-associated protein; domain 1 / Crispr-associated protein; domain 2 / Alpha-Beta Plaits - #2660 / CRISPR-associated protein, CT1975 / CT1975-like protein / CRISPR-associated protein, CasD / CRISPR-associated protein Cse2 / Cse2 superfamily / CRISPR-associated protein Cse2 (CRISPR_cse2) / CRISPR-associated protein Cse1 / CRISPR-associated protein Cse1 (CRISPR_cse1) / CRISPR-associated protein Cse3 / CRISPR associated protein / CRISPR_assoc / CRISPR-associated protein, Cas5 / CRISPR-associated protein (Cas_Cas5) / CRISPR-associated protein Cas5, N-terminal / Peroxidase; domain 1 / Alpha-Beta Plaits / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
: / RNA / RNA (> 10) / CRISPR system Cascade subunit CasB / CRISPR system Cascade subunit CasE / CRISPR system Cascade subunit CasD / CRISPR system Cascade subunit CasC / CRISPR system Cascade subunit CasA
Similarity search - Component
Biological speciesEscherichia coli K12 (bacteria)
Escherichia coli str. K-12 substr. MG1655 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 3.003 Å
AuthorsZhao, H. / Sheng, G. / Wang, J. / Wang, M. / Bunkoczi, G. / Gong, W. / Wei, Z. / Wang, Y.
Funding support China, 1items
OrganizationGrant numberCountry
China
CitationJournal: Nature / Year: 2014
Title: Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli
Authors: Zhao, H. / Sheng, G. / Wang, J. / Wang, M. / Bunkoczi, G. / Gong, W. / Wei, Z. / Wang, Y.
History
DepositionJul 31, 2014Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Aug 27, 2014Provider: repository / Type: Initial release
Revision 1.1Nov 12, 2014Group: Database references
Revision 1.2Dec 4, 2019Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Other / Refinement description / Source and taxonomy
Category: citation / diffrn_source ...citation / diffrn_source / entity_src_gen / ndb_struct_na_base_pair / ndb_struct_na_base_pair_step / pdbx_database_status / pdbx_entity_src_syn / pdbx_struct_oper_list / pdbx_validate_close_contact / refine_hist / software / struct_conn / struct_conn_type / struct_ref
Item: _citation.journal_id_CSD / _diffrn_source.pdbx_synchrotron_site ..._citation.journal_id_CSD / _diffrn_source.pdbx_synchrotron_site / _entity_src_gen.pdbx_alt_source_flag / _ndb_struct_na_base_pair_step.helical_twist / _ndb_struct_na_base_pair_step.tilt / _pdbx_database_status.pdb_format_compatible / _pdbx_entity_src_syn.pdbx_alt_source_flag / _pdbx_struct_oper_list.symmetry_operation / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein / _software.pdbx_ordinal / _struct_ref.pdbx_seq_one_letter_code
Revision 1.3Mar 20, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
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
A: CRISPR system Cascade subunit CasA
B: CRISPR system Cascade subunit CasB
C: CRISPR system Cascade subunit CasB
D: CRISPR system Cascade subunit CasE
E: CRISPR system Cascade subunit CasC
F: CRISPR system Cascade subunit CasC
G: CRISPR system Cascade subunit CasC
H: CRISPR system Cascade subunit CasC
I: CRISPR system Cascade subunit CasC
J: CRISPR system Cascade subunit CasC
K: CRISPR system Cascade subunit CasD
L: crRNA
M: CRISPR system Cascade subunit CasA
N: CRISPR system Cascade subunit CasB
O: CRISPR system Cascade subunit CasB
P: CRISPR system Cascade subunit CasE
Q: CRISPR system Cascade subunit CasC
R: CRISPR system Cascade subunit CasC
S: CRISPR system Cascade subunit CasC
T: CRISPR system Cascade subunit CasC
U: CRISPR system Cascade subunit CasC
V: CRISPR system Cascade subunit CasC
W: CRISPR system Cascade subunit CasD
X: crRNA


Theoretical massNumber of molelcules
Total (without water)802,61224
Polymers802,61224
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area108980 Å2
ΔGint-550 kcal/mol
Surface area259260 Å2
2
A: CRISPR system Cascade subunit CasA
B: CRISPR system Cascade subunit CasB
C: CRISPR system Cascade subunit CasB
D: CRISPR system Cascade subunit CasE
E: CRISPR system Cascade subunit CasC
F: CRISPR system Cascade subunit CasC
G: CRISPR system Cascade subunit CasC
H: CRISPR system Cascade subunit CasC
I: CRISPR system Cascade subunit CasC
J: CRISPR system Cascade subunit CasC
K: CRISPR system Cascade subunit CasD
L: crRNA


Theoretical massNumber of molelcules
Total (without water)401,30612
Polymers401,30612
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area53550 Å2
ΔGint-269 kcal/mol
Surface area130410 Å2
MethodPISA
3
M: CRISPR system Cascade subunit CasA
N: CRISPR system Cascade subunit CasB
O: CRISPR system Cascade subunit CasB
P: CRISPR system Cascade subunit CasE
Q: CRISPR system Cascade subunit CasC
R: CRISPR system Cascade subunit CasC
S: CRISPR system Cascade subunit CasC
T: CRISPR system Cascade subunit CasC
U: CRISPR system Cascade subunit CasC
V: CRISPR system Cascade subunit CasC
W: CRISPR system Cascade subunit CasD
X: crRNA


Theoretical massNumber of molelcules
Total (without water)401,30612
Polymers401,30612
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area53480 Å2
ΔGint-277 kcal/mol
Surface area130800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)111.412, 118.143, 225.873
Angle α, β, γ (deg.)92.230, 93.550, 106.060
Int Tables number1
Space group name H-MP1
Detailsbiological unit is the same as asym.

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Components

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CRISPR system Cascade subunit ... , 5 types, 22 molecules AMBCNODPEFGHIJQRSTUVKW

#1: Protein CRISPR system Cascade subunit CasA / CRISPR type I-E/Ecoli-associated protein CasA/Cse1 / CRISPR-associated protein CasA/Cse1


Mass: 55964.957 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: casA, cse1, ygcL, b2760, JW2730 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q46901
#2: Protein
CRISPR system Cascade subunit CasB


Mass: 18728.525 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: casB, cse2, ygcK, b2759, JW2729 / Production host: Escherichia coli (E. coli) / References: UniProt: P76632
#3: Protein CRISPR system Cascade subunit CasE / CasE endoRNase / crRNA endonuclease


Mass: 22581.293 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: casE, cas6e, ygcH, b2756, JW2726 / Production host: Escherichia coli (E. coli)
References: UniProt: Q46897, Hydrolases; Acting on ester bonds
#4: Protein
CRISPR system Cascade subunit CasC


Mass: 40071.402 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: casC, cas4, cse4, ygcJ, b2758, JW2728 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46899
#5: Protein CRISPR system Cascade subunit CasD


Mass: 25239.803 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K12 (bacteria) / Gene: casD, cas5, ygcI, b2757, JW5844 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46898

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RNA chain , 1 types, 2 molecules LX

#6: RNA chain crRNA


Mass: 19634.629 Da / Num. of mol.: 2 / Source method: obtained synthetically
Source: (synth.) Escherichia coli str. K-12 substr. MG1655 (bacteria)
References: GenBank: 882596

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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: 3.55 Å3/Da / Density % sol: 65.32 %
Crystal growTemperature: 289 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: 11%-13% PEG4000, 100mM Tris-HCl, 200mM NaAc, 100mM Glycine, 50mM LiAc

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-1A / Wavelength: 1.1 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: May 17, 2013 / Details: Mono-chromator and mirrors
RadiationMonochromator: Cryo-cooled channel-cut Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3→50 Å / Num. obs: 216153 / % possible obs: 98.8 % / Redundancy: 3.1 % / Biso Wilson estimate: 55.4 Å2 / Rmerge(I) obs: 0.105 / Χ2: 0.88 / Net I/av σ(I): 9.889 / Net I/σ(I): 8.3 / Num. measured all: 680117
Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2% possible all
3-3.1130.625214420.88798.3
3.11-3.233.30.483215300.89398.5
3.23-3.383.30.334216050.92798.6
3.38-3.563.20.241216060.97798.6
3.56-3.783.20.168215751.03198.6
3.78-4.0730.12215921.01798.8
4.07-4.4830.084216570.9399
4.48-5.133.20.067216820.84999
5.13-6.463.20.061217190.72599.2
6.46-503.10.039217450.56799.4

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
HKL-2000data processing
HKL-2000data scaling
RESOLVEphasing
Cootmodel building
PDB_EXTRACT3.14data extraction
PHASERphasing
PHASERmodel building
HKLdata reduction
HKLdata scaling
PHENIX(phenix.refine: 1.8.4_1496)refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.003→43.797 Å / FOM work R set: 0.8826 / SU ML: 0.24 / Cross valid method: NONE / σ(F): 1.96 / Phase error: 22.45 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2185 9789 5.01 %
Rwork0.1795 185443 -
obs0.1815 195232 88.77 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 165.3 Å2 / Biso mean: 57.04 Å2 / Biso min: 20.55 Å2
Refinement stepCycle: final / Resolution: 3.003→43.797 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms51959 2596 0 0 54555
Num. residues----6823
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01255807
X-RAY DIFFRACTIONf_angle_d1.11176081
X-RAY DIFFRACTIONf_chiral_restr0.0558640
X-RAY DIFFRACTIONf_plane_restr0.0059464
X-RAY DIFFRACTIONf_dihedral_angle_d15.00620873
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.0034-3.03760.38741360.2882568270437
3.0376-3.07330.31242020.28383235343747
3.0733-3.11070.29881830.27333660384352
3.1107-3.15010.35982010.2724201440260
3.1501-3.19160.3312420.26864729497168
3.1916-3.23530.29262630.2595100536374
3.2353-3.28150.29832950.25335688598380
3.2815-3.33040.31363340.24375906624087
3.3304-3.38250.28933490.24466365671491
3.3825-3.43790.28243480.24366458680694
3.4379-3.49710.2673530.23556750710396
3.4971-3.56070.26683820.21976758714097
3.5607-3.62920.26663530.21266859721298
3.6292-3.70320.23513780.20356854723298
3.7032-3.78370.25083710.19596802717399
3.7837-3.87160.2263610.19316872723399
3.8716-3.96840.20833460.18796940728699
3.9684-4.07560.20983920.18276868726099
4.0756-4.19550.20173580.16866855721399
4.1955-4.33080.21473780.16396911728999
4.3308-4.48540.19913320.15496907723999
4.4854-4.66480.18653810.14466827720899
4.6648-4.87680.17393600.14226946730699
4.8768-5.13360.19233590.14856940729999
5.1336-5.45470.20643640.15616848721299
5.4547-5.87490.20223270.16196983731099
5.8749-6.46450.18633490.15856923727299
6.4645-7.3960.19733950.15796933732899
7.396-9.30350.14583400.12376932727299
9.3035-43.80210.16383570.13836825718298
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)
11.87740.04120.22590.9468-0.13841.1012-0.10510.43870.6145-0.27220.0744-0.0818-0.74380.27750.04221.4333-0.06360.18940.60150.1850.9919.189654.7606-55.6207
21.77770.36580.28480.9173-0.21441.28050.1296-0.07010.15850.026-0.0937-0.3104-0.4650.33320.02161.1996-0.08730.16380.59030.04440.822328.057943.2605-40.0291
31.82670.99620.14571.8879-1.22841.60180.1238-0.05480.29880.0598-0.2007-0.3186-0.37240.3605-0.02650.7680.03730.11320.4112-0.10610.588321.996526.9157-23.2966
42.9410.6153-0.5454.6004-0.82083.95340.0027-0.63820.21850.44620.2117-0.3187-0.24391.0462-0.04830.5645-0.069-0.03020.5871-0.11530.442618.57713.094215.4629
53.1724-0.3316-0.53633.7917-0.0595.1039-0.11610.15280.149-0.12470.34030.0816-0.05230.1525-0.06380.5413-0.065-0.02710.4446-0.06510.33177.6352.883415.2052
62.8413-0.6533-1.15251.88170.26714.51060.2528-0.13780.62790.0389-0.098-0.4971-0.530.7569-0.12390.529-0.12310.00760.4967-0.06060.476220.80076.82323.8949
72.09930.0543-0.2622.0745-0.62435.03210.2195-0.0831-0.0089-0.3622-0.09630.2410.0158-0.0986-0.04240.51640.0440.06170.3411-0.06050.423912.5543-1.1193-5.8186
82.8063-0.14380.15052.872-0.28885.86020.3705-0.16850.3629-0.1513-0.386-0.0076-0.68230.4849-0.14220.5411-0.05610.08340.4145-0.07870.455319.08698.8155-4.7185
93.51580.2692-0.24933.1775-0.48672.9318-0.0360.42220.0681-0.04320.16770.9882-0.0992-0.9741-0.09330.4989-0.00750.07860.79620.10440.8987-25.44893.110627.3966
104.32523.4273-0.6226.8974-1.10892.45680.2601-0.69410.6330.92520.09650.6335-0.5811-0.2986-0.11470.66760.08850.17730.3679-0.0510.6193-13.5919.702636.1554
110.15810.5931-0.17893.5876-1.08760.3235-0.3646-0.34470.88110.044-0.0541-0.0506-0.89010.2484-0.15580.8169-0.07120.06910.4765-0.15280.8757-4.468219.139629.6452
124.8803-0.25790.30463.2441-0.87372.9202-0.06770.0572-0.3257-0.3237-0.10620.1570.0481-0.0203-0.04870.5498-0.05160.06120.4476-0.02590.3906-3.558-2.522626.1144
133.9330.51280.32924.59680.48043.7224-0.2156-0.1547-0.4067-0.00210.13830.57550.30340.0081-0.05120.4815-0.02620.1460.3804-0.02070.4977-10.8279-1.31730.3789
144.9413-0.6457-0.59272.5768-0.0232.2393-0.03560.48940.3347-0.11260.00770.2709-0.1669-0.1431-0.0080.4798-0.0077-0.01530.4292-0.00830.4218-5.06656.27522.4899
151.4239-0.49480.06462.728-0.03032.48720.13521.26130.0567-1.3014-0.00490.36470.4333-0.1671-0.02240.96870.0138-0.13621.242-0.13250.6936-42.8021-23.662522.5129
162.0161-0.49990.12892.7264-0.04951.84540.22910.09190.225-0.1677-0.2940.96170.036-0.3172-0.01550.3772-0.08430.00460.7103-0.10180.8283-47.1617-18.159841.7305
170.94070.44210.07760.8856-0.7022.3543-0.10260.35010.0368-0.51770.11490.02930.4188-0.0028-0.05510.80770.1489-0.05070.3445-0.01330.4066-3.5986-3.4371-48.416
180.5736-0.0447-0.07481.9561-0.17671.5667-0.09940.14280.1809-0.129-0.1338-0.1361-0.12150.11490.02720.55180.05560.02260.3285-0.01240.38092.0174-4.4035-30.3981
190.90730.3540.50011.2582-0.46642.23020.05410.01880.1087-0.31380.05850.36180.1306-0.4849-0.12340.61710.108-0.06690.4128-0.00830.4101-15.4581-2.4175-29.686
203.573-2.47841.00816.4741-1.62992.5947-0.2099-0.38030.18810.24090.27710.6855-0.0989-0.8126-0.19170.46680.10280.0080.5787-0.00210.5395-22.74015.0288-17.2117
211.82280.2179-0.10543.286-0.38172.62720.0874-0.11760.0618-0.17780.10860.83440.3068-1.0068-0.20090.6187-0.0309-0.10850.66480.09710.6507-28.6424-5.3054-28.2785
221.24730.0934-0.57411.47080.22951.62380.00730.2172-0.2292-0.6475-0.0402-0.4720.30730.2556-0.05490.90620.16550.12380.3219-0.05830.484715.5901-27.3774-28.2133
230.9764-0.48480.14061.29190.08221.19770.10180.0458-0.1052-0.4005-0.0842-0.1995-0.26480.0993-0.0170.5550.020.09560.2723-0.0430.415110.3362-21.1138-12.4713
241.01280.3746-0.20911.07740.30532.18350.03490.1177-0.141-0.42110.03440.10730.4203-0.3371-0.00290.65160.038-0.02180.3086-0.05570.3676-3.7727-27.3827-17.6552
252.6975-1.33523.452.3368-2.53848.9034-0.0566-0.1759-0.1969-0.51660.27590.55710.4577-1.2652-0.16610.6038-0.0581-0.10630.4773-0.02760.4225-18.2162-21.0156-13.9353
261.44390.00511.20562.3675-1.65533.60680.0015-0.0342-0.3003-0.3214-0.16950.7120.7549-1.1787-0.02640.8423-0.0884-0.14090.5305-0.05540.5856-15.5632-34.6867-18.666
272.040.0291-0.1210.2713-0.1661.01610.1919-0.1482-0.0325-0.1226-0.138-0.23330.16440.2117-0.02450.48970.07570.00990.30770.00460.340415.2147-31.575212.3769
282.7798-0.3585-0.15522.05410.17671.9540.11250.48370.1114-0.30970.0329-0.69350.09910.7189-0.05590.60370.14880.11630.77870.07760.742441.7783-33.84642.5144
292.6235-0.4228-0.03641.31880.48431.47580.22480.9410.128-0.5403-0.3685-0.4570.03960.5746-0.04490.68790.20050.02630.5870.02010.538526.5468-36.4078-0.6812
302.5062-0.31070.81591.61770.242.6932-0.0802-0.50080.12770.0012-0.10470.0085-0.3919-0.36420.13780.312-0.01430.06020.29730.02930.363.0796-17.960828.2129
311.9392-0.2956-0.06741.4350.46071.47030.05930.0317-0.2169-0.224-0.0251-0.04230.4579-0.0874-0.0250.57650.05830.01660.27220.01590.36485.9674-39.16878.2722
322.2716-0.40820.29091.36612.01363.4086-0.2456-0.1865-0.3412-0.3957-0.44340.63440.8245-0.75820.04590.6264-0.079-0.01230.2453-0.03190.4896-9.3388-39.61232.8583
332.3437-0.28280.37572.6415-0.33073.5240.0762-0.0058-0.7062-0.2716-0.05410.39380.8002-0.1257-0.040.8602-0.0333-0.04440.34380.02220.57470.5949-51.48386.7114
341.9643-0.2991-0.05741.69460.35031.59910.0515-0.49780.35210.24710.1146-0.7585-0.03190.6208-0.05880.3952-0.024-0.0460.6593-0.0350.617817.9103-21.388442.54
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1211.6727-0.1007-0.4763.608-1.23622.08990.1357-0.50910.3430.6335-0.02310.54470.2082-0.2175-0.08680.5297-0.06090.13411.03340.0640.4836-46.0331.4122137.4756
1222.0564-0.0645-0.00031.79830.17241.33370.03710.5864-0.7545-0.35850.02890.32120.8222-0.2183-0.09011.0769-0.2079-0.14610.9184-0.01620.6545-35.5921-13.9137117.6824
1232.07430.03170.08542.14920.20741.5793-0.03430.7379-0.4796-0.83380.09750.0310.8323-0.2669-0.10511.0068-0.2609-0.11080.92620.05270.5315-38.7312-6.4314118.464
1243.16030.0389-0.4021.1571-0.67420.4430.1152-0.46810.4823-0.02360.2109-0.54-0.00180.2348-0.01290.7161-0.0339-0.14180.851-0.02290.6706-10.969.5586146.3775
1251.99420.3299-0.09352.1455-0.38491.48260.0335-0.1415-0.18320.30770.17820.28960.4794-0.4286-0.12090.751-0.2029-0.04070.74420.13660.394-36.6752-2.1685137.4863
1262.3633-0.1414-1.23223.4383-0.45770.9589-0.108-0.61620.24090.67320.33640.3650.393-0.4385-0.18050.6851-0.12290.04310.99150.12060.4302-38.7518.4012146.2227
1272.620.12120.21273.57270.6362.7099-0.0394-0.6315-0.06970.7097-0.14520.45050.5351-0.5425-0.14550.8994-0.23940.06791.03890.20330.6914-45.9208-2.5973146.951
1281.38570.4971-0.39351.1756-0.03551.41110.05270.05510.01110.1601-0.08-0.1085-0.1440.10060.0210.14090.0062-0.02570.2952-0.01990.375825.542237.403264.009
1292.1434-0.1257-0.04172.07740.35472.00790.02070.21310.2089-0.3934-0.1146-0.7708-0.05710.7999-0.10850.2487-0.04210.0260.8030.07030.914455.221539.615949.0686
1301.34380.34660.08012.73720.59711.19370.1404-0.00680.20360.1231-0.17680.5402-0.2634-0.24780.13460.2343-0.00420.01930.4163-0.01960.353710.734552.063768.6908
1311.4342-0.7055-0.53821.5034-0.12991.1292-0.0391-0.1658-0.13770.0966-0.0332-0.27740.20770.29550.02040.2031-0.0318-0.04790.38010.01010.435830.162230.283167.5135
1321.4730.09530.22762.50090.67472.51580.1659-0.1857-0.71220.0419-0.10970.11490.4449-0.04630.07650.2789-0.0165-0.0920.3710.04060.48222.860218.397170.3745
1332.8694-0.1138-0.3823.89110.72433.67250.1025-0.5051-1.08290.3094-0.1285-0.23330.43920.16290.03810.3377-0.0047-0.11240.53890.08790.610532.886920.892577.7226
1341.13580.28630.04672.3602-0.36181.6004-0.11370.1698-0.2018-0.23690.0062-0.12220.12420.1560.05280.23750.04180.02090.3729-0.08470.415127.864525.438742.8778
1352.7750.80640.95052.52290.2881.4478-0.34210.7059-0.5078-0.17720.2302-0.24470.12370.35520.03830.32810.03440.06150.4619-0.10180.528931.091719.32437.5526
1362.52092.23630.0075.04480.06041.9576-0.00120.2786-0.12010.23930.18390.37130.3278-0.20750.05580.2143-0.0185-0.04830.3269-0.02990.43813.808131.634653.1497
1373.33170.47530.83091.9013-0.27970.9412-0.005-0.00520.6748-0.13350.0074-0.6333-0.73550.6923-0.07330.3286-0.08450.04290.45590.11450.654740.383251.375947.2555
1380.66630.5720.12982.29770.22450.9353-0.1028-0.0261-0.1279-0.15740.03240.00020.06620.15780.07040.23890.0318-0.02920.3884-0.04510.371522.736530.639146.5291
1390.17190.06370.57080.37441.14424.288-0.07790.3603-0.2806-0.2385-0.037-0.16180.51990.68760.05910.5120.1030.05610.5378-0.10160.70636.012611.296140.9022
1401.3882-0.10650.22171.9215-0.13161.9127-0.09520.0954-0.2577-0.1894-0.0845-0.25240.50890.26050.03840.31980.0180.05920.3887-0.06510.471726.435116.797447.889
1413.76550.4514-1.26943.9995-2.37626.54-0.1242-0.0378-0.18310.01610.12030.44110.2238-0.2774-0.07720.3755-0.09170.01030.333-0.19250.497114.607514.969242.2321
1422.46081.45980.11616.0921-0.0791.8402-0.23950.2551-0.0143-0.63590.50680.03710.6237-0.37260.07630.4529-0.08050.01810.4865-0.07360.447416.61318.464129.0967
1431.28790.74910.18162.81510.11641.9629-0.10710.4-0.2349-0.35680.1013-0.26540.17650.3070.05920.33520.03040.02030.4243-0.07350.449627.000327.346432.3426
1441.18710.3881-0.3510.50620.33081.59160.125-0.09780.015-0.18530.1105-0.1555-0.13030.2024-0.13880.1342-0.0387-0.00340.26740.02080.411626.040546.345457.5924
1451.173-0.99970.63881.77890.10650.77710.18280.6840.6621-0.25830.09710.3314-0.6048-0.2464-0.43440.5182-0.04910.03040.4510.04460.576-5.936364.350784.2432
1461.39290.0533-0.8817-0.0361-0.13431.0556-0.17360.37590.3592-0.50950.47730.41150.0583-0.5607-0.36170.46460.058-0.01590.80560.05760.4815-32.384444.16197.9294
1470.30460.0014-0.2311.6185-0.06181.30780.26870.2187-0.2742-0.3544-0.1056-0.1790.97230.10130.13260.7379-0.0344-0.10630.78580.05030.5412-21.9508-3.3531119.6174
1480.9557-0.27481.82260.0829-0.48913.52540.3836-0.3866-0.47020.1467-0.1419-0.83830.41430.7360.36261.11640.5405-0.02931.74230.11881.186916.8834-10.8702131.5554
1492.04750.142-0.26530.13310.49862.11820.1843-0.0271-0.90190.0227-0.0364-0.79830.70890.91210.3981.32690.3298-0.22431.36520.04641.198712.5342-14.3848138.0534
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 283 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 284 through 374 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 375 through 495 )A0
4X-RAY DIFFRACTION4chain 'B' and (resid 3 through 25 )B0
5X-RAY DIFFRACTION5chain 'B' and (resid 26 through 51 )B0
6X-RAY DIFFRACTION6chain 'B' and (resid 52 through 94 )B0
7X-RAY DIFFRACTION7chain 'B' and (resid 95 through 124 )B0
8X-RAY DIFFRACTION8chain 'B' and (resid 125 through 159 )B0
9X-RAY DIFFRACTION9chain 'C' and (resid 4 through 67 )C0
10X-RAY DIFFRACTION10chain 'C' and (resid 68 through 77 )C0
11X-RAY DIFFRACTION11chain 'C' and (resid 78 through 86 )C0
12X-RAY DIFFRACTION12chain 'C' and (resid 87 through 111 )C0
13X-RAY DIFFRACTION13chain 'C' and (resid 112 through 129 )C0
14X-RAY DIFFRACTION14chain 'C' and (resid 130 through 160 )C0
15X-RAY DIFFRACTION15chain 'D' and (resid -1 through 75 )D0
16X-RAY DIFFRACTION16chain 'D' and (resid 76 through 199 )D0
17X-RAY DIFFRACTION17chain 'E' and (resid 1 through 155 )E0
18X-RAY DIFFRACTION18chain 'E' and (resid 156 through 221 )E0
19X-RAY DIFFRACTION19chain 'E' and (resid 222 through 304 )E0
20X-RAY DIFFRACTION20chain 'E' and (resid 305 through 323 )E0
21X-RAY DIFFRACTION21chain 'E' and (resid 324 through 363 )E0
22X-RAY DIFFRACTION22chain 'F' and (resid 1 through 155 )F0
23X-RAY DIFFRACTION23chain 'F' and (resid 156 through 221 )F0
24X-RAY DIFFRACTION24chain 'F' and (resid 222 through 304 )F0
25X-RAY DIFFRACTION25chain 'F' and (resid 305 through 323 )F0
26X-RAY DIFFRACTION26chain 'F' and (resid 324 through 363 )F0
27X-RAY DIFFRACTION27chain 'G' and (resid 1 through 79 )G0
28X-RAY DIFFRACTION28chain 'G' and (resid 80 through 145 )G0
29X-RAY DIFFRACTION29chain 'G' and (resid 146 through 184 )G0
30X-RAY DIFFRACTION30chain 'G' and (resid 185 through 221 )G0
31X-RAY DIFFRACTION31chain 'G' and (resid 222 through 304 )G0
32X-RAY DIFFRACTION32chain 'G' and (resid 305 through 323 )G0
33X-RAY DIFFRACTION33chain 'G' and (resid 324 through 362 )G0
34X-RAY DIFFRACTION34chain 'H' and (resid 1 through 145 )H0
35X-RAY DIFFRACTION35chain 'H' and (resid 146 through 184 )H0
36X-RAY DIFFRACTION36chain 'H' and (resid 185 through 221 )H0
37X-RAY DIFFRACTION37chain 'H' and (resid 222 through 304 )H0
38X-RAY DIFFRACTION38chain 'H' and (resid 305 through 323 )H0
39X-RAY DIFFRACTION39chain 'H' and (resid 324 through 363 )H0
40X-RAY DIFFRACTION40chain 'I' and (resid 1 through 27 )I0
41X-RAY DIFFRACTION41chain 'I' and (resid 28 through 57 )I0
42X-RAY DIFFRACTION42chain 'I' and (resid 58 through 79 )I0
43X-RAY DIFFRACTION43chain 'I' and (resid 80 through 115 )I0
44X-RAY DIFFRACTION44chain 'I' and (resid 116 through 145 )I0
45X-RAY DIFFRACTION45chain 'I' and (resid 146 through 184 )I0
46X-RAY DIFFRACTION46chain 'I' and (resid 185 through 221 )I0
47X-RAY DIFFRACTION47chain 'I' and (resid 222 through 260 )I0
48X-RAY DIFFRACTION48chain 'I' and (resid 261 through 284 )I0
49X-RAY DIFFRACTION49chain 'I' and (resid 285 through 304 )I0
50X-RAY DIFFRACTION50chain 'I' and (resid 305 through 323 )I0
51X-RAY DIFFRACTION51chain 'I' and (resid 324 through 363 )I0
52X-RAY DIFFRACTION52chain 'J' and (resid 1 through 195 )J0
53X-RAY DIFFRACTION53chain 'J' and (resid 196 through 221 )J0
54X-RAY DIFFRACTION54chain 'J' and (resid 222 through 304 )J0
55X-RAY DIFFRACTION55chain 'J' and (resid 305 through 333 )J0
56X-RAY DIFFRACTION56chain 'J' and (resid 334 through 362 )J0
57X-RAY DIFFRACTION57chain 'K' and (resid 1 through 20 )K0
58X-RAY DIFFRACTION58chain 'K' and (resid 21 through 32 )K0
59X-RAY DIFFRACTION59chain 'K' and (resid 33 through 68 )K0
60X-RAY DIFFRACTION60chain 'K' and (resid 69 through 89 )K0
61X-RAY DIFFRACTION61chain 'K' and (resid 90 through 102 )K0
62X-RAY DIFFRACTION62chain 'K' and (resid 103 through 122 )K0
63X-RAY DIFFRACTION63chain 'K' and (resid 123 through 218 )K0
64X-RAY DIFFRACTION64chain 'L' and (resid 1 through 35 )L0
65X-RAY DIFFRACTION65chain 'L' and (resid 36 through 61 )L0
66X-RAY DIFFRACTION66chain 'M' and (resid 1 through 208 )M0
67X-RAY DIFFRACTION67chain 'M' and (resid 209 through 374 )M0
68X-RAY DIFFRACTION68chain 'M' and (resid 375 through 495 )M0
69X-RAY DIFFRACTION69chain 'N' and (resid 4 through 15 )N0
70X-RAY DIFFRACTION70chain 'N' and (resid 16 through 25 )N0
71X-RAY DIFFRACTION71chain 'N' and (resid 26 through 37 )N0
72X-RAY DIFFRACTION72chain 'N' and (resid 38 through 67 )N0
73X-RAY DIFFRACTION73chain 'N' and (resid 68 through 86 )N0
74X-RAY DIFFRACTION74chain 'N' and (resid 87 through 106 )N0
75X-RAY DIFFRACTION75chain 'N' and (resid 107 through 124 )N0
76X-RAY DIFFRACTION76chain 'N' and (resid 125 through 141 )N0
77X-RAY DIFFRACTION77chain 'N' and (resid 142 through 159 )N0
78X-RAY DIFFRACTION78chain 'O' and (resid 4 through 25 )O0
79X-RAY DIFFRACTION79chain 'O' and (resid 26 through 37 )O0
80X-RAY DIFFRACTION80chain 'O' and (resid 38 through 51 )O0
81X-RAY DIFFRACTION81chain 'O' and (resid 52 through 77 )O0
82X-RAY DIFFRACTION82chain 'O' and (resid 78 through 86 )O0
83X-RAY DIFFRACTION83chain 'O' and (resid 87 through 124 )O0
84X-RAY DIFFRACTION84chain 'O' and (resid 125 through 141 )O0
85X-RAY DIFFRACTION85chain 'O' and (resid 142 through 159 )O0
86X-RAY DIFFRACTION86chain 'P' and (resid -1 through 15 )P0
87X-RAY DIFFRACTION87chain 'P' and (resid 16 through 65 )P0
88X-RAY DIFFRACTION88chain 'P' and (resid 66 through 110 )P0
89X-RAY DIFFRACTION89chain 'P' and (resid 111 through 143 )P0
90X-RAY DIFFRACTION90chain 'P' and (resid 144 through 160 )P0
91X-RAY DIFFRACTION91chain 'P' and (resid 161 through 199 )P0
92X-RAY DIFFRACTION92chain 'Q' and (resid 1 through 57 )Q0
93X-RAY DIFFRACTION93chain 'Q' and (resid 58 through 79 )Q0
94X-RAY DIFFRACTION94chain 'Q' and (resid 80 through 146 )Q0
95X-RAY DIFFRACTION95chain 'Q' and (resid 147 through 184 )Q0
96X-RAY DIFFRACTION96chain 'Q' and (resid 185 through 221 )Q0
97X-RAY DIFFRACTION97chain 'Q' and (resid 222 through 284 )Q0
98X-RAY DIFFRACTION98chain 'Q' and (resid 285 through 304 )Q0
99X-RAY DIFFRACTION99chain 'Q' and (resid 305 through 322 )Q0
100X-RAY DIFFRACTION100chain 'Q' and (resid 323 through 344 )Q0
101X-RAY DIFFRACTION101chain 'Q' and (resid 345 through 363 )Q0
102X-RAY DIFFRACTION102chain 'R' and (resid 1 through 146 )R0
103X-RAY DIFFRACTION103chain 'R' and (resid 147 through 195 )R0
104X-RAY DIFFRACTION104chain 'R' and (resid 196 through 221 )R0
105X-RAY DIFFRACTION105chain 'R' and (resid 222 through 284 )R0
106X-RAY DIFFRACTION106chain 'R' and (resid 285 through 344 )R0
107X-RAY DIFFRACTION107chain 'R' and (resid 345 through 363 )R0
108X-RAY DIFFRACTION108chain 'S' and (resid 1 through 184 )S0
109X-RAY DIFFRACTION109chain 'S' and (resid 185 through 239 )S0
110X-RAY DIFFRACTION110chain 'S' and (resid 240 through 304 )S0
111X-RAY DIFFRACTION111chain 'S' and (resid 305 through 323 )S0
112X-RAY DIFFRACTION112chain 'S' and (resid 324 through 362 )S0
113X-RAY DIFFRACTION113chain 'T' and (resid 1 through 27 )T0
114X-RAY DIFFRACTION114chain 'T' and (resid 28 through 79 )T0
115X-RAY DIFFRACTION115chain 'T' and (resid 80 through 115 )T0
116X-RAY DIFFRACTION116chain 'T' and (resid 116 through 145 )T0
117X-RAY DIFFRACTION117chain 'T' and (resid 146 through 184 )T0
118X-RAY DIFFRACTION118chain 'T' and (resid 185 through 221 )T0
119X-RAY DIFFRACTION119chain 'T' and (resid 222 through 304 )T0
120X-RAY DIFFRACTION120chain 'T' and (resid 305 through 323 )T0
121X-RAY DIFFRACTION121chain 'T' and (resid 324 through 362 )T0
122X-RAY DIFFRACTION122chain 'U' and (resid 1 through 155 )U0
123X-RAY DIFFRACTION123chain 'U' and (resid 156 through 189 )U0
124X-RAY DIFFRACTION124chain 'U' and (resid 190 through 221 )U0
125X-RAY DIFFRACTION125chain 'U' and (resid 222 through 304 )U0
126X-RAY DIFFRACTION126chain 'U' and (resid 305 through 337 )U0
127X-RAY DIFFRACTION127chain 'U' and (resid 338 through 362 )U0
128X-RAY DIFFRACTION128chain 'V' and (resid 1 through 57 )V0
129X-RAY DIFFRACTION129chain 'V' and (resid 58 through 184 )V0
130X-RAY DIFFRACTION130chain 'V' and (resid 185 through 221 )V0
131X-RAY DIFFRACTION131chain 'V' and (resid 222 through 304 )V0
132X-RAY DIFFRACTION132chain 'V' and (resid 305 through 333 )V0
133X-RAY DIFFRACTION133chain 'V' and (resid 334 through 362 )V0
134X-RAY DIFFRACTION134chain 'W' and (resid 1 through 50 )W0
135X-RAY DIFFRACTION135chain 'W' and (resid 51 through 68 )W0
136X-RAY DIFFRACTION136chain 'W' and (resid 69 through 89 )W0
137X-RAY DIFFRACTION137chain 'W' and (resid 90 through 102 )W0
138X-RAY DIFFRACTION138chain 'W' and (resid 103 through 122 )W0
139X-RAY DIFFRACTION139chain 'W' and (resid 123 through 138 )W0
140X-RAY DIFFRACTION140chain 'W' and (resid 139 through 173 )W0
141X-RAY DIFFRACTION141chain 'W' and (resid 174 through 183 )W0
142X-RAY DIFFRACTION142chain 'W' and (resid 184 through 196 )W0
143X-RAY DIFFRACTION143chain 'W' and (resid 197 through 218 )W0
144X-RAY DIFFRACTION144chain 'X' and (resid 1 through 15 )X0
145X-RAY DIFFRACTION145chain 'X' and (resid 16 through 20 )X0
146X-RAY DIFFRACTION146chain 'X' and (resid 21 through 30 )X0
147X-RAY DIFFRACTION147chain 'X' and (resid 31 through 45 )X0
148X-RAY DIFFRACTION148chain 'X' and (resid 46 through 51 )X0
149X-RAY DIFFRACTION149chain 'X' and (resid 52 through 61 )X0

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