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- PDB-4tvx: Crystal structure of the E. coli CRISPR RNA-guided surveillance c... -

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Basic information

Entry
Database: PDB / ID: 4tvx
TitleCrystal structure of the E. coli CRISPR RNA-guided surveillance complex, Cascade
Components
  • (CRISPR system Cascade subunit ...) x 5
  • Escherichia coli strain ECOR44 cluster 1 CRISPR region
KeywordsHydrolase/RNA / CRISPR / RNA / Surveillance / Complex / Hydrolase-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 / Hydrolases; Acting on ester bonds / nucleic acid binding / 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 / Hydrolases; Acting on ester bonds / nucleic acid binding / protein-containing complex / DNA binding / RNA binding / zinc ion binding
Similarity search - Function
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-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
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 (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3.24 Å
AuthorsJackson, R.N. / Golden, S.M. / Carter, J. / Wiedenheft, B.
Funding support United States, 4items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)P20 GM103500 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM108888 United States
National Science Foundation (NSF, United States)EPS-110134 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)F32 GM108436 United States
CitationJournal: Science / Year: 2014
Title: Structural biology. Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli.
Authors: Jackson, R.N. / Golden, S.M. / van Erp, P.B. / Carter, J. / Westra, E.R. / Brouns, S.J. / van der Oost, J. / Terwilliger, T.C. / Read, R.J. / Wiedenheft, B.
History
DepositionJun 28, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 13, 2014Provider: repository / Type: Initial release
Revision 1.1Aug 20, 2014Group: Derived calculations / Other
Revision 1.2Aug 27, 2014Group: Database references
Revision 1.3Oct 1, 2014Group: Database references
SupersessionDec 10, 2014ID: 1VY8, 1VY9
Revision 1.4Dec 10, 2014Group: Other
Revision 1.5Sep 6, 2017Group: Author supporting evidence / Database references ...Author supporting evidence / Database references / Derived calculations / Source and taxonomy
Category: citation / entity_src_gen ...citation / entity_src_gen / pdbx_audit_support / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag ..._citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.6Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.7Mar 23, 2022Group: Author supporting evidence / Database references / Refinement description
Category: database_2 / pdbx_audit_support / refine_hist
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_audit_support.funding_organization / _pdbx_audit_support.grant_number
Revision 1.8Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
W: CRISPR system Cascade subunit CasB
V: CRISPR system Cascade subunit CasB
K: CRISPR system Cascade subunit CasB
J: CRISPR system Cascade subunit CasB
F: CRISPR system Cascade subunit CasC
D: CRISPR system Cascade subunit CasC
E: CRISPR system Cascade subunit CasC
C: CRISPR system Cascade subunit CasC
B: CRISPR system Cascade subunit CasC
G: CRISPR system Cascade subunit CasC
A: CRISPR system Cascade subunit CasE
H: CRISPR system Cascade subunit CasD
R: CRISPR system Cascade subunit CasC
P: CRISPR system Cascade subunit CasC
Q: CRISPR system Cascade subunit CasC
O: CRISPR system Cascade subunit CasC
N: CRISPR system Cascade subunit CasC
S: CRISPR system Cascade subunit CasC
T: CRISPR system Cascade subunit CasD
M: CRISPR system Cascade subunit CasE
L: Escherichia coli strain ECOR44 cluster 1 CRISPR region
X: Escherichia coli strain ECOR44 cluster 1 CRISPR region
U: CRISPR system Cascade subunit CasA
I: CRISPR system Cascade subunit CasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)804,32526
Polymers804,19424
Non-polymers1312
Water0
1
W: CRISPR system Cascade subunit CasB
V: CRISPR system Cascade subunit CasB
R: CRISPR system Cascade subunit CasC
P: CRISPR system Cascade subunit CasC
Q: CRISPR system Cascade subunit CasC
O: CRISPR system Cascade subunit CasC
N: CRISPR system Cascade subunit CasC
S: CRISPR system Cascade subunit CasC
T: CRISPR system Cascade subunit CasD
M: CRISPR system Cascade subunit CasE
X: Escherichia coli strain ECOR44 cluster 1 CRISPR region
U: CRISPR system Cascade subunit CasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)402,16213
Polymers402,09712
Non-polymers651
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
K: CRISPR system Cascade subunit CasB
J: CRISPR system Cascade subunit CasB
F: CRISPR system Cascade subunit CasC
D: CRISPR system Cascade subunit CasC
E: CRISPR system Cascade subunit CasC
C: CRISPR system Cascade subunit CasC
B: CRISPR system Cascade subunit CasC
G: CRISPR system Cascade subunit CasC
A: CRISPR system Cascade subunit CasE
H: CRISPR system Cascade subunit CasD
L: Escherichia coli strain ECOR44 cluster 1 CRISPR region
I: CRISPR system Cascade subunit CasA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)402,16213
Polymers402,09712
Non-polymers651
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)200.851, 214.541, 217.383
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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

#1: Protein
CRISPR system Cascade subunit CasB


Mass: 19231.049 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: casB, cse2, ygcK, b2759, JW2729 / Production host: Escherichia coli (E. coli) / References: UniProt: P76632
#2: 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 (E. coli) / Strain: K12 / Gene: casC, cas4, cse4, ygcJ, b2758, JW2728 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46899
#3: Protein CRISPR system Cascade subunit CasE / CasE endoRNase / crRNA endonuclease


Mass: 22324.002 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / 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 CasD


Mass: 25239.803 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: casD, cas5, ygcI, b2757, JW5844 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46898
#6: 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 (E. coli) / Strain: K12 / Gene: casA, cse1, ygcL, b2760, JW2730 / Production host: Escherichia coli (E. coli) / References: UniProt: Q46901

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RNA chain / Non-polymers , 2 types, 4 molecules LX

#5: RNA chain Escherichia coli strain ECOR44 cluster 1 CRISPR region


Mass: 19677.646 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) / References: GenBank: 50811866
#7: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn

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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: 2.9 Å3/Da / Density % sol: 60 % / Description: P212121
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: PEG 8000, sodium chloride, sodium thiocyanate, HEPES
PH range: 6.5-8.0 / Temp details: growth occurs at 277-297 K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 4, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.24→39.614 Å / Num. all: 297628 / Num. obs: 148870 / % possible obs: 98.89 % / Redundancy: 6.8 % / Rmerge(I) obs: 0.149 / Net I/σ(I): 8.5
Reflection shellResolution: 3.24→3.356 Å / Redundancy: 6.9 % / Rmerge(I) obs: 0.99 / Mean I/σ(I) obs: 2.38 / % possible all: 99.9

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Processing

SoftwareName: PHENIX / Version: (phenix.refine: dev_1760) / Classification: refinement
RefinementResolution: 3.24→39.614 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.62 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2675 2011 1.35 %Random selection
Rwork0.2338 ---
obs0.2342 148795 99.84 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.24→39.614 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms50698 2564 2 0 53264
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00754544
X-RAY DIFFRACTIONf_angle_d1.23174488
X-RAY DIFFRACTIONf_dihedral_angle_d15.67919862
X-RAY DIFFRACTIONf_chiral_restr0.0478572
X-RAY DIFFRACTIONf_plane_restr0.0069248
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.24-3.3210.28361400.318610396X-RAY DIFFRACTION100
3.321-3.41070.32941490.309410363X-RAY DIFFRACTION100
3.4107-3.5110.31771460.295310374X-RAY DIFFRACTION100
3.511-3.62430.33351470.277410386X-RAY DIFFRACTION100
3.6243-3.75370.29741440.263510410X-RAY DIFFRACTION100
3.7537-3.90390.28831350.259610400X-RAY DIFFRACTION100
3.9039-4.08140.28331560.247610421X-RAY DIFFRACTION100
4.0814-4.29630.21761330.23510472X-RAY DIFFRACTION100
4.2963-4.56520.26231400.214810470X-RAY DIFFRACTION100
4.5652-4.9170.21281370.200610475X-RAY DIFFRACTION100
4.917-5.41080.2411460.218710504X-RAY DIFFRACTION100
5.4108-6.19110.30011380.230910559X-RAY DIFFRACTION100
6.1911-7.79050.25261450.234210656X-RAY DIFFRACTION100
7.7905-39.61740.25681550.188210898X-RAY DIFFRACTION100
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)
14.4989-0.1819-0.84795.28631.27762.03640.5948-0.4529-1.00770.81010.50540.05851.2636-0.9627-0.80260.940.0126-0.15670.90340.1550.968918.242-23.5862-9.2262
23.08543.258-1.30653.4823-1.3294.4055-0.076-0.9179-0.01891.03640.0210.5585-0.4736-0.54970.11391.12050.0003-0.13761.1652-0.33740.634326.2252-11.5254-6.8969
34.3376-0.31620.7390.9577-1.17114.1541-0.47730.5768-0.4814-0.61760.5181-0.07350.532-0.3547-0.09280.8196-0.1163-0.15490.7837-0.01250.76228.9532-19.7077-17.2563
44.2992-1.450.60582.0237-0.25252.259-0.0744-0.9577-0.24490.57040.32970.11760.2065-0.3239-0.28010.7044-0.0413-0.04790.757-0.02230.5039.7962-16.5618-15.4728
55.93581.22253.87933.6045-1.86076.4279-0.07450.4451-0.1074-0.82050.0692-0.3027-1.04650.96350.03990.7688-0.0830.03060.6984-0.13090.599313.1993-8.5722-25.9317
64.5241-0.7697-2.28071.72220.14585.2643-0.2012-0.5162-0.5123-0.3761-0.22280.64680.6354-0.62570.23950.7388-0.35490.00711.1576-0.06260.680311.468-20.7701-19.2673
78.162-3.0724-2.90116.37411.97966.27250.3788-0.2703-0.5811-0.1651-0.26330.0410.1799-1.0393-0.060.6877-0.0089-0.06040.8022-0.06080.51551.354-15.7507-26.8022
82.55960.01550.1962.49850.59053.1618-0.01010.82070.37250.04520.09260.17380.33611.5158-0.02940.9746-0.0844-0.06921.4369-0.10451.029561.8485-19.9137-31.7787
92.3071-1.36480.29615.8918-0.31424.2824-0.53970.1604-0.76680.1950.97610.58840.87180.5342-0.45220.98270.0046-0.00961.11060.04520.853753.7527-25.4193-23.1054
104.8805-0.84620.4714.58-0.91696.3948-0.0888-0.75721.12030.0337-0.46690.6598-0.0790.53680.46050.9113-0.1231-0.11770.9555-0.15870.786945.0017-15.9271-13.6207
113.509-0.6109-1.08382.00290.25673.0372-0.21250.1136-0.0017-0.3643-0.23680.3624-0.2880.06680.37350.9463-0.0357-0.13240.8568-0.06840.809146.819-20.0637-19.9917
120.06250.1471-0.320.6815-1.20342.3268-0.325-0.8886-0.01961.0524-0.2674-0.7967-0.38190.44640.36250.9711-0.0186-0.13721.15580.141.371371.9504-44.3663-28.6848
134.19790.715-0.94414.40360.70513.84810.01010.95050.0936-0.4949-0.01190.1641-0.82030.08840.00790.7835-0.08240.08640.76510.12440.615574.5847-51.0012-48.4639
145.8658-0.7793-0.55892.84050.38232.6692-0.1118-0.12010.65250.09670.24560.4964-0.63450.1604-0.10850.83140.01250.15350.52870.09160.67470.9324-49.5947-40.1782
155.51970.49781.926.0715-1.19274.67430.10860.9273-0.1566-0.0333-0.0272-0.00830.0187-0.0382-0.0070.56560.0928-0.06370.7649-0.08040.39557.5898-65.5061-40.6016
167.3047-1.21180.71748.5707-0.73687.6308-0.1445-0.13-0.812-0.40620.6030.03480.45190.5489-0.34640.72810.1337-0.11380.36890.01580.527466.5197-62.7631-44.1467
174.85841.2333-0.60063.6981-0.26092.13960.5880.37770.73510.1301-0.1510.0311-0.3926-0.2915-0.45250.61610.13650.07130.57650.15340.673558.2167-57.984-34.718
185.5294-0.3117-0.32513.1913-0.66182.67350.0356-0.487-0.35380.5202-0.2601-0.26410.17091.00390.37290.8124-0.0931-0.08791.0204-0.13361.0178115.0418-62.8323-41.9683
194.6184-0.93510.59182.17760.49013.97020.3024-0.965-0.00650.3605-0.6870.3035-0.6129-0.07350.28380.7506-0.1469-0.05491.1569-0.04831.1326105.733-54.3613-37.9638
204.952-1.19750.54483.81991.06473.2944-0.26371.0947-0.17450.5782-0.02270.3251-0.0431-0.45060.25220.8411-0.2790.1041.0033-0.01410.616397.6399-53.3649-50.2864
215.0653-0.34180.99833.5599-0.16533.26260.1599-0.84440.47740.16740.60470.36320.1295-0.2537-0.52290.659-0.1819-0.00570.8371-0.01140.776995.3823-52.4537-40.6322
221.6373-0.13840.11972.3545-1.05251.632-0.23620.2601-0.4274-0.02050.18660.28490.0814-0.21540.12690.2611-0.05830.06790.4749-0.09930.444564.5741-93.3204-31.4153
231.2969-0.27980.53711.4275-0.03210.7650.25690.3049-1.06810.1567-0.11170.58520.3059-0.6138-0.0210.8898-0.35080.01520.90110.00591.237140.5668-111.6414-27.0638
243.38790.058-0.62182.02540.05063.0582-0.3150.4614-0.54460.95210.88841.46380.1929-1.012-0.73791.3449-0.26620.45970.92780.01781.360542.2571-120.5278-14.0095
253.3271.4165-1.5940.8059-1.38221.6217-0.19450.0721-0.32480.66470.07110.70021.3309-0.28970.27980.8433-0.23440.26820.4976-0.01990.885253.9969-109.7004-18.1344
261.6568-0.3484-0.17391.6666-0.74433.5387-0.06110.2566-0.2942-0.14740.07590.16760.2633-0.24890.04320.2178-0.0850.04960.4004-0.14060.446864.3924-94.4392-34.5916
273.4974-2.08282.64562.2934-3.54375.6280.22730.11890.2063-0.2556-0.189-0.41161.0777-0.07710.0180.49130.07890.00270.3327-0.13250.549769.7129-96.8042-36.8624
283.10311.8674-1.15536.0022-2.10835.7647-0.1575-0.1049-0.06980.5011-0.0913-0.7443-0.40250.45860.32580.3396-0.0095-0.13520.5185-0.03810.326378.4853-87.223-25.1308
292.2992-1.02824.50143.0032-4.90142.0871-0.53610.07150.0186-0.152-0.7715-1.20530.07061.91731.16530.43390.0660.04970.51190.13920.668784.3946-90.8579-23.3257
303.3613-0.8371.0843.62991.35538.0039-0.25120.3595-0.3969-0.0278-0.1626-1.03871.28641.93810.1410.56590.26980.12770.5355-0.02820.710483.8534-105.5477-28.079
312.1222-0.54280.05681.88480.12491.5556-0.02580.64360.0761-0.18230.09480.1028-0.4507-0.2532-0.02820.5214-0.16140.0250.93710.04630.437778.1276-67.8468-73.2827
321.2322-0.07280.04750.66240.60241.9344-0.2950.44040.4965-0.50220.26540.789-0.8137-1.40420.07171.12620.1847-0.26351.66460.21181.214448.1526-57.4412-81.4181
331.91030.45160.25491.77340.77721.865-0.15770.78470.1744-0.39820.06810.4944-0.2771-0.47350.04010.6321-0.079-0.07041.16350.05780.510371.8695-67.4022-76.4688
341.8809-0.10970.34952.55140.17281.8573-0.1660.9286-0.0146-0.48690.3314-0.1688-0.28240.2036-0.13340.4911-0.14490.00591.06530.00680.394384.1495-74.4898-75.4491
355.64086.5448-0.81158.3028-1.73651.5505-0.42930.744-1.451-0.66440.3414-1.32170.72990.6758-0.09580.5938-0.25950.00731.0371-0.34610.655786.1793-87.9802-74.1532
361.73281.0765-0.77371.7921-1.62982.41860.53660.7435-0.6276-0.42440.0424-0.41420.21871.3632-0.4710.8209-0.17170.04841.5796-0.30660.601881.6549-85.3136-87.7924
371.16580.7333-0.10812.7104-0.35981.7405-0.06790.4554-0.1344-0.16720.00320.1263-0.166-0.01760.10970.2613-0.00950.03680.6124-0.11250.373366.7066-85.6095-56.827
381.2352-0.1861-0.3262.40290.37081.8778-0.0948-0.0239-0.1579-0.3730.0925-0.0148-0.3356-0.1636-0.07490.4676-0.1073-0.03090.9805-0.0450.719537.3814-90.3656-63.1091
394.76631.4277-0.32623.5769-2.51955.47521.034-0.09010.18830.1818-0.33490.98980.3862-1.002-0.40670.6223-0.16740.01851.2163-0.32550.70832.1084-104.3128-57.6264
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1262.98390.6694-0.34011.5655-1.54253.12290.13510.32710.0013-0.45631.265-0.14190.3682-0.2129-0.65091.1268-0.29690.04540.9429-0.17010.950379.4611-16.7236-35.5664
1270.8142-1.8757-1.89438.2912-0.59842.06270.0908-0.46850.18841.22130.2409-0.28820.38380.787-0.08620.6881-0.0948-0.16481.11160.03910.621792.07962.8682-25.0771
1282.3690.51430.00594.99430.70982.5375-0.03960.63120.21690.04250.3563-0.4310.29130.2085-0.13420.67060.0465-0.08310.8923-0.02320.700890.16431.2843-34.8279
1291.80820.4565-0.63082.48841.252.670.0089-0.3213-0.19360.40130.12910.37080.2343-0.0952-0.06070.44180.04480.05450.36240.05910.393757.3928-86.56256.0606
1301.7438-0.063-0.62080.2793-0.76321.7660.07690.57090.36260.05470.17040.3403-0.1669-0.4811-0.10230.4335-0.01160.03460.5072-0.08580.43968.3125-70.1563-55.2096
1310.74191.3059-1.3954.1005-0.55523.9511-0.0219-0.80240.33570.12950.2910.3104-0.94650.597-0.38220.9092-0.29050.21230.8295-0.05861.0984122.007-45.2499-60.6602
1321.3841.0619-0.83791.47190.19691.1893-0.5066-0.54660.76250.47270.3158-0.3409-1.14531.02360.0881.0247-0.4956-0.1151.3053-0.220.9904138.693-64.8926-43.4707
1334.29190.7245-0.06810.1965-0.39171.09330.6349-0.5299-0.20560.3774-0.0839-1.46830.13590.4312-0.37661.4224-0.324-0.57912.121-0.12691.9533156.8382-68.705-41.7025
1344.32530.8676-1.43836.3175-1.64314.2680.1724-0.0414-0.1490.505-0.3406-0.8223-0.12431.22240.41850.8512-0.3666-0.19131.8367-0.30081.1731145.9053-73.6565-46.9642
1350.35590.91390.96831.5109-0.29340.528-0.0806-0.06990.0195-0.3719-0.02160.2328-0.0213-0.08080.05060.2883-0.0050.05180.2753-0.04490.393-2.6912-19.3266-66.062
1360.7994-0.55020.94160.3744-0.18191.5086-0.2256-0.62860.24280.0570.1661-0.1509-0.1106-0.35060.16540.5893-0.0943-0.07610.5688-0.09480.728835.08121.1203-10.2142
1370.3728-0.04060.14351.0631-0.45720.2557-0.486-1.0861-0.16670.72970.9631-0.1310.4297-0.6137-0.41511.60080.1534-0.15881.03710.14030.915485.7698-21.8272-23.9641
1382.98010.8334-1.36923.22390.44665.07960.0312-0.2114-1.01640.18550.3026-1.20671.40451.5003-0.08681.22620.2997-0.19451.2142-0.20811.237697.8265-17.413-40.4868
1392.25820.57520.70081.0223-0.3620.8701-0.17230.0232-0.7573-0.1391-0.01230.2960.5729-0.47420.06690.8878-0.37290.04970.8075-0.13340.9233-34.004-56.8816-66.1561
1402.40441.2492-0.58781.9023-0.74862.886-0.02640.04110.2622-0.1354-0.14630.5504-0.1717-0.78770.14560.53840.0048-0.05480.5748-0.12060.6832-36.1686-38.1091-67.2492
1412.96951.0211.14730.74091.00091.57620.4115-0.7695-0.17260.3558-0.44710.3013-0.0810.0096-0.04620.7505-0.15450.0270.7048-0.11550.6205-28.3399-44.0181-51.8397
1424.32342.2520.61483.86690.14541.68890.0528-0.2467-0.34990.3263-0.1332-0.12240.1906-0.50920.10920.5589-0.14460.07550.63290.02060.4596-11.2169-28.1454-38.3522
1433.1225-1.62270.53762.2404-1.48311.56110.8393-1.9313-1.92111.46940.7061-0.1499-0.0614-1.835-0.31660.54920.8851.77951.95930.2297-0.651829.6782-76.079425.5777
1440.7709-1.9528-0.65332.5521-0.121.3888-0.071-0.3093-0.35020.40870.29310.5922-0.2211-0.9724-0.17170.91870.16210.29671.70450.2330.800522.2054-80.16518.2973
1452.6448-0.8497-1.3320.8332-0.47213.116-0.1327-0.52730.17090.44180.38810.2749-0.6164-0.8603-0.19940.67960.29320.17810.94890.02430.660436.9723-64.8052-6.0278
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'W' and (resid 4 through 16 )
2X-RAY DIFFRACTION2chain 'W' and (resid 17 through 26 )
3X-RAY DIFFRACTION3chain 'W' and (resid 27 through 54 )
4X-RAY DIFFRACTION4chain 'W' and (resid 55 through 98 )
5X-RAY DIFFRACTION5chain 'W' and (resid 99 through 124 )
6X-RAY DIFFRACTION6chain 'W' and (resid 125 through 141 )
7X-RAY DIFFRACTION7chain 'W' and (resid 142 through 160 )
8X-RAY DIFFRACTION8chain 'V' and (resid 4 through 54 )
9X-RAY DIFFRACTION9chain 'V' and (resid 55 through 86 )
10X-RAY DIFFRACTION10chain 'V' and (resid 87 through 109 )
11X-RAY DIFFRACTION11chain 'V' and (resid 110 through 158 )
12X-RAY DIFFRACTION12chain 'K' and (resid 0 through 8 )
13X-RAY DIFFRACTION13chain 'K' and (resid 9 through 37 )
14X-RAY DIFFRACTION14chain 'K' and (resid 38 through 86 )
15X-RAY DIFFRACTION15chain 'K' and (resid 87 through 109 )
16X-RAY DIFFRACTION16chain 'K' and (resid 110 through 124 )
17X-RAY DIFFRACTION17chain 'K' and (resid 125 through 160 )
18X-RAY DIFFRACTION18chain 'J' and (resid 4 through 51 )
19X-RAY DIFFRACTION19chain 'J' and (resid 52 through 86 )
20X-RAY DIFFRACTION20chain 'J' and (resid 87 through 124 )
21X-RAY DIFFRACTION21chain 'J' and (resid 125 through 160 )
22X-RAY DIFFRACTION22chain 'F' and (resid 2 through 57 )
23X-RAY DIFFRACTION23chain 'F' and (resid 58 through 115 )
24X-RAY DIFFRACTION24chain 'F' and (resid 116 through 145 )
25X-RAY DIFFRACTION25chain 'F' and (resid 146 through 184 )
26X-RAY DIFFRACTION26chain 'F' and (resid 185 through 260 )
27X-RAY DIFFRACTION27chain 'F' and (resid 261 through 284 )
28X-RAY DIFFRACTION28chain 'F' and (resid 285 through 304 )
29X-RAY DIFFRACTION29chain 'F' and (resid 305 through 323 )
30X-RAY DIFFRACTION30chain 'F' and (resid 324 through 363 )
31X-RAY DIFFRACTION31chain 'D' and (resid 2 through 57 )
32X-RAY DIFFRACTION32chain 'D' and (resid 58 through 146 )
33X-RAY DIFFRACTION33chain 'D' and (resid 147 through 260 )
34X-RAY DIFFRACTION34chain 'D' and (resid 261 through 304 )
35X-RAY DIFFRACTION35chain 'D' and (resid 305 through 323 )
36X-RAY DIFFRACTION36chain 'D' and (resid 324 through 362 )
37X-RAY DIFFRACTION37chain 'E' and (resid 2 through 57 )
38X-RAY DIFFRACTION38chain 'E' and (resid 58 through 115 )
39X-RAY DIFFRACTION39chain 'E' and (resid 116 through 146 )
40X-RAY DIFFRACTION40chain 'E' and (resid 147 through 260 )
41X-RAY DIFFRACTION41chain 'E' and (resid 261 through 284 )
42X-RAY DIFFRACTION42chain 'E' and (resid 285 through 303 )
43X-RAY DIFFRACTION43chain 'E' and (resid 304 through 323 )
44X-RAY DIFFRACTION44chain 'E' and (resid 324 through 363 )
45X-RAY DIFFRACTION45chain 'C' and (resid 2 through 57 )
46X-RAY DIFFRACTION46chain 'C' and (resid 58 through 144 )
47X-RAY DIFFRACTION47chain 'C' and (resid 145 through 362 )
48X-RAY DIFFRACTION48chain 'B' and (resid 2 through 27 )
49X-RAY DIFFRACTION49chain 'B' and (resid 28 through 57 )
50X-RAY DIFFRACTION50chain 'B' and (resid 58 through 174 )
51X-RAY DIFFRACTION51chain 'B' and (resid 175 through 362 )
52X-RAY DIFFRACTION52chain 'G' and (resid 2 through 57 )
53X-RAY DIFFRACTION53chain 'G' and (resid 58 through 79 )
54X-RAY DIFFRACTION54chain 'G' and (resid 80 through 173 )
55X-RAY DIFFRACTION55chain 'G' and (resid 174 through 212 )
56X-RAY DIFFRACTION56chain 'G' and (resid 213 through 304 )
57X-RAY DIFFRACTION57chain 'G' and (resid 305 through 322 )
58X-RAY DIFFRACTION58chain 'G' and (resid 323 through 362 )
59X-RAY DIFFRACTION59chain 'A' and (resid 1 through 118 )
60X-RAY DIFFRACTION60chain 'A' and (resid 119 through 160 )
61X-RAY DIFFRACTION61chain 'A' and (resid 161 through 171 )
62X-RAY DIFFRACTION62chain 'A' and (resid 172 through 199 )
63X-RAY DIFFRACTION63chain 'H' and (resid 1 through 68 )
64X-RAY DIFFRACTION64chain 'H' and (resid 69 through 88 )
65X-RAY DIFFRACTION65chain 'H' and (resid 89 through 103 )
66X-RAY DIFFRACTION66chain 'H' and (resid 104 through 183 )
67X-RAY DIFFRACTION67chain 'H' and (resid 184 through 219 )
68X-RAY DIFFRACTION68chain 'R' and (resid 2 through 27 )
69X-RAY DIFFRACTION69chain 'R' and (resid 28 through 57 )
70X-RAY DIFFRACTION70chain 'R' and (resid 58 through 145 )
71X-RAY DIFFRACTION71chain 'R' and (resid 146 through 184 )
72X-RAY DIFFRACTION72chain 'R' and (resid 185 through 260 )
73X-RAY DIFFRACTION73chain 'R' and (resid 261 through 284 )
74X-RAY DIFFRACTION74chain 'R' and (resid 285 through 303 )
75X-RAY DIFFRACTION75chain 'R' and (resid 304 through 322 )
76X-RAY DIFFRACTION76chain 'R' and (resid 323 through 363 )
77X-RAY DIFFRACTION77chain 'P' and (resid 2 through 57 )
78X-RAY DIFFRACTION78chain 'P' and (resid 58 through 145 )
79X-RAY DIFFRACTION79chain 'P' and (resid 146 through 260 )
80X-RAY DIFFRACTION80chain 'P' and (resid 261 through 284 )
81X-RAY DIFFRACTION81chain 'P' and (resid 285 through 362 )
82X-RAY DIFFRACTION82chain 'Q' and (resid 2 through 57 )
83X-RAY DIFFRACTION83chain 'Q' and (resid 58 through 79 )
84X-RAY DIFFRACTION84chain 'Q' and (resid 80 through 146 )
85X-RAY DIFFRACTION85chain 'Q' and (resid 147 through 195 )
86X-RAY DIFFRACTION86chain 'Q' and (resid 196 through 260 )
87X-RAY DIFFRACTION87chain 'Q' and (resid 261 through 284 )
88X-RAY DIFFRACTION88chain 'Q' and (resid 285 through 304 )
89X-RAY DIFFRACTION89chain 'Q' and (resid 305 through 322 )
90X-RAY DIFFRACTION90chain 'Q' and (resid 323 through 362 )
91X-RAY DIFFRACTION91chain 'O' and (resid 2 through 57 )
92X-RAY DIFFRACTION92chain 'O' and (resid 58 through 145 )
93X-RAY DIFFRACTION93chain 'O' and (resid 146 through 260 )
94X-RAY DIFFRACTION94chain 'O' and (resid 261 through 284 )
95X-RAY DIFFRACTION95chain 'O' and (resid 285 through 323 )
96X-RAY DIFFRACTION96chain 'O' and (resid 324 through 362 )
97X-RAY DIFFRACTION97chain 'N' and (resid 2 through 57 )
98X-RAY DIFFRACTION98chain 'N' and (resid 58 through 184 )
99X-RAY DIFFRACTION99chain 'N' and (resid 185 through 206 )
100X-RAY DIFFRACTION100chain 'N' and (resid 207 through 362 )
101X-RAY DIFFRACTION101chain 'S' and (resid 2 through 27 )
102X-RAY DIFFRACTION102chain 'S' and (resid 28 through 57 )
103X-RAY DIFFRACTION103chain 'S' and (resid 58 through 84 )
104X-RAY DIFFRACTION104chain 'S' and (resid 85 through 112 )
105X-RAY DIFFRACTION105chain 'S' and (resid 113 through 173 )
106X-RAY DIFFRACTION106chain 'S' and (resid 174 through 222 )
107X-RAY DIFFRACTION107chain 'S' and (resid 223 through 260 )
108X-RAY DIFFRACTION108chain 'S' and (resid 261 through 284 )
109X-RAY DIFFRACTION109chain 'S' and (resid 285 through 304 )
110X-RAY DIFFRACTION110chain 'S' and (resid 305 through 322 )
111X-RAY DIFFRACTION111chain 'S' and (resid 323 through 362 )
112X-RAY DIFFRACTION112chain 'T' and (resid 1 through 19 )
113X-RAY DIFFRACTION113chain 'T' and (resid 20 through 32 )
114X-RAY DIFFRACTION114chain 'T' and (resid 33 through 50 )
115X-RAY DIFFRACTION115chain 'T' and (resid 51 through 68 )
116X-RAY DIFFRACTION116chain 'T' and (resid 69 through 89 )
117X-RAY DIFFRACTION117chain 'T' and (resid 90 through 102 )
118X-RAY DIFFRACTION118chain 'T' and (resid 103 through 122 )
119X-RAY DIFFRACTION119chain 'T' and (resid 123 through 138 )
120X-RAY DIFFRACTION120chain 'T' and (resid 139 through 157 )
121X-RAY DIFFRACTION121chain 'T' and (resid 158 through 196 )
122X-RAY DIFFRACTION122chain 'T' and (resid 197 through 219 )
123X-RAY DIFFRACTION123chain 'M' and (resid 1 through 65 )
124X-RAY DIFFRACTION124chain 'M' and (resid 66 through 118 )
125X-RAY DIFFRACTION125chain 'M' and (resid 119 through 143 )
126X-RAY DIFFRACTION126chain 'M' and (resid 144 through 160 )
127X-RAY DIFFRACTION127chain 'M' and (resid 161 through 171 )
128X-RAY DIFFRACTION128chain 'M' and (resid 172 through 199 )
129X-RAY DIFFRACTION129chain 'L' and (resid 1 through 10 )
130X-RAY DIFFRACTION130chain 'L' and (resid 11 through 35 )
131X-RAY DIFFRACTION131chain 'L' and (resid 36 through 40 )
132X-RAY DIFFRACTION132chain 'L' and (resid 41 through 50 )
133X-RAY DIFFRACTION133chain 'L' and (resid 51 through 55 )
134X-RAY DIFFRACTION134chain 'L' and (resid 56 through 60 )
135X-RAY DIFFRACTION135chain 'X' and (resid 1 through 15 )
136X-RAY DIFFRACTION136chain 'X' and (resid 16 through 40 )
137X-RAY DIFFRACTION137chain 'X' and (resid 41 through 45 )
138X-RAY DIFFRACTION138chain 'X' and (resid 46 through 60 )
139X-RAY DIFFRACTION139chain 'U' and (resid 3 through 84 )
140X-RAY DIFFRACTION140chain 'U' and (resid 85 through 328 )
141X-RAY DIFFRACTION141chain 'U' and (resid 329 through 375 )
142X-RAY DIFFRACTION142chain 'U' and (resid 376 through 496 )
143X-RAY DIFFRACTION143chain 'I' and (resid 3 through 153 )
144X-RAY DIFFRACTION144chain 'I' and (resid 154 through 278 )
145X-RAY DIFFRACTION145chain 'I' and (resid 279 through 496 )

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