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- PDB-5cd4: The Type IE CRISPR Cascade complex from E. coli, with two assembl... -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5cd4
TitleThe Type IE CRISPR Cascade complex from E. coli, with two assemblies in the asymmetric unit arranged back-to-back
Components
  • (CRISPR system Cascade subunit ...) x 5
  • crRNA
KeywordsHYDROLASE/RNA / CRISPR / Cascade / RNA Surveillance / Adaptive Immunity / 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 / 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 (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsJackson, R.N. / Golden, S.M. / Carter, J. / Wiedenheft, B.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM108888 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)F32 GM108436 United States
CitationJournal: Nucleic Acids Res. / Year: 2015
Title: Mechanism of CRISPR-RNA guided recognition of DNA targets in Escherichia coli.
Authors: van Erp, P.B. / Jackson, R.N. / Carter, J. / Golden, S.M. / Bailey, S. / Wiedenheft, B.
History
DepositionJul 3, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 26, 2015Provider: repository / Type: Initial release
Revision 1.1Oct 28, 2015Group: Database references
Revision 1.2Jun 1, 2016Group: Data collection
Revision 1.3Sep 20, 2017Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list
Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Sep 27, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_value_order / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

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


Theoretical massNumber of molelcules
Total (without water)804,32526
Polymers804,19424
Non-polymers1312
Water00
1
A: CRISPR system Cascade subunit CasE
B: CRISPR system Cascade subunit CasC
C: CRISPR system Cascade subunit CasC
D: CRISPR system Cascade subunit CasC
E: CRISPR system Cascade subunit CasC
F: CRISPR system Cascade subunit CasC
G: CRISPR system Cascade subunit CasC
H: CRISPR system Cascade subunit CasD
I: CRISPR system Cascade subunit CasA
J: CRISPR system Cascade subunit CasB
K: CRISPR system Cascade subunit CasB
L: crRNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)402,16213
Polymers402,09712
Non-polymers651
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area55210 Å2
ΔGint-327 kcal/mol
Surface area128550 Å2
MethodPISA
2
M: CRISPR system Cascade subunit CasE
N: CRISPR system Cascade subunit CasC
O: CRISPR system Cascade subunit CasC
P: CRISPR system Cascade subunit CasC
Q: CRISPR system Cascade subunit CasC
R: CRISPR system Cascade subunit CasC
S: CRISPR system Cascade subunit CasC
T: CRISPR system Cascade subunit CasD
U: CRISPR system Cascade subunit CasA
V: CRISPR system Cascade subunit CasB
W: CRISPR system Cascade subunit CasB
X: crRNA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)402,16213
Polymers402,09712
Non-polymers651
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area53600 Å2
ΔGint-297 kcal/mol
Surface area127700 Å2
MethodPISA
Unit cell
Length a, b, c (Å)105.990, 244.800, 426.740
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 AMBCDEFGNOPQRSHTIUJKVW

#1: 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
#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 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
#4: 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
#5: 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

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

#6: RNA chain crRNA


Mass: 19677.646 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K-12 / Production host: Escherichia coli (E. coli)
#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

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Sample preparation

CrystalDensity Matthews: 3.44 Å3/Da / Density % sol: 64.27 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop
Details: 0.1 M HEPES pH 7.0, 0-0.1 M KCl, and 8-14 percent (w/v) PEG 8000. The crystal used in this study grew in the presence of an 11-nt ssDNA containing a 5-CTT-3 PAM and nine nucleotides ...Details: 0.1 M HEPES pH 7.0, 0-0.1 M KCl, and 8-14 percent (w/v) PEG 8000. The crystal used in this study grew in the presence of an 11-nt ssDNA containing a 5-CTT-3 PAM and nine nucleotides complementary to the crRNA-guide sequence in a 2:1 oligonucleotide:protein ratio. However, the target DNA is not observed in the electron
PH range: 6.5-7.5

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Data collection

DiffractionMean temperature: 80 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1 Å
DetectorType: MAR scanner 300 mm plate / Detector: IMAGE PLATE / Date: Mar 22, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.2→49.74 Å / Num. obs: 183649 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 7.3 % / Net I/σ(I): 8
Reflection shellResolution: 3.2→3.25 Å / Redundancy: 6.9 % / Mean I/σ(I) obs: 2 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(1.10pre_2089: ???)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1VY8

1vy8
PDB Unreleased entry


Resolution: 3.2→49.735 Å / SU ML: 0.44 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 24.47 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2496 2000 1.09 %
Rwork0.2122 --
obs0.2127 183492 99.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.2→49.735 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms50706 2600 2 0 53308
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00454557
X-RAY DIFFRACTIONf_angle_d0.7474581
X-RAY DIFFRACTIONf_dihedral_angle_d11.45932412
X-RAY DIFFRACTIONf_chiral_restr0.0348588
X-RAY DIFFRACTIONf_plane_restr0.0039271
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.280.32691410.303312803X-RAY DIFFRACTION100
3.28-3.36870.33061420.28212843X-RAY DIFFRACTION100
3.3687-3.46780.29231410.270112818X-RAY DIFFRACTION100
3.4678-3.57970.33511410.255412835X-RAY DIFFRACTION100
3.5797-3.70760.28271420.236412873X-RAY DIFFRACTION100
3.7076-3.8560.28611420.230412883X-RAY DIFFRACTION100
3.856-4.03140.30161410.215212868X-RAY DIFFRACTION100
4.0314-4.24380.22991430.198412943X-RAY DIFFRACTION100
4.2438-4.50960.22131430.184912895X-RAY DIFFRACTION100
4.5096-4.85750.22741420.173412953X-RAY DIFFRACTION100
4.8575-5.34580.19721430.180213004X-RAY DIFFRACTION100
5.3458-6.11810.23231440.203613056X-RAY DIFFRACTION100
6.1181-7.70360.22591460.212813152X-RAY DIFFRACTION100
7.7036-49.7410.1941490.175213566X-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)
12.1270.51961.20130.44341.06713.64110.75070.518-0.828-0.7445-0.0396-0.08420.7437-0.2728-0.46911.0667-0.02560.01330.5619-0.03151.3689-83.4375.5641-95.3854
21.3685-0.7454-0.13893.8155-0.60652.5797-0.1790.1488-0.8363-0.02640.13080.7840.7763-0.3524-0.02150.7367-0.074-0.07310.4830.01720.9879-88.936583.7691-89.7468
32.20630.2718-0.44052.5126-0.60485.05160.28470.24510.4804-0.160.21510.0776-0.6043-0.6692-0.23170.46960.0623-0.13440.41030.09340.5037-81.6989100.5849-100.1403
48.1134-1.1527-2.46622.96950.62964.9551-0.1330.2365-0.7183-0.46220.01950.62170.6984-0.32950.1230.5763-0.0579-0.15060.35890.04650.5549-86.736391.2205-93.7158
52.38460.54450.17650.4922-0.79922.0066-0.04720.15450.22270.20510.0860.0854-0.2626-0.11070.02670.54650.17030.04990.30830.02220.4373-72.2703107.1939-71.641
65.9836-0.9372-2.48025.87770.78735.1513-0.39390.89560.2898-0.9008-0.3852-0.3073-1.56140.5310.23620.9642-0.29470.07480.7608-0.00810.6517-50.0368120.5472-79.3449
71.88510.10180.1042.31540.55923.1083-0.25990.5181-0.0294-0.46040.342-0.9765-1.16151.6916-0.15720.9451-0.35720.07971.0107-0.16731.3101-39.5313120.8016-72.4709
80.82271.1691.38413.44640.95365.0605-0.15420.20620.38920.62820.5512-0.8297-0.73030.9109-0.27530.7367-0.0673-0.08690.4683-0.07920.7287-51.6374115.7781-63.6722
93.56871.23460.83542.51171.3582.9146-0.2709-0.161-0.51580.12630.20430.38540.4065-0.9860.02180.6018-0.09610.02550.58530.21540.6806-90.03494.2018-76.2328
106.55211.54772.54461.57610.42192.7181-0.3256-0.15930.76160.3479-0.01250.1663-0.790.05780.38240.75450.17630.00080.3976-0.03360.4947-67.764117.2829-60.5549
112.03470.47271.35082.72711.70656.3289-0.52090.06010.8575-0.3561-0.23420.4857-0.321-0.78620.41870.64340.2639-0.08010.5720.09960.7223-81.0464115.1429-68.5904
121.56180.6096-0.25824.58720.24412.6054-0.049-0.64050.10850.40210.17770.5065-0.4697-0.7758-0.00630.55590.31120.09610.63580.03180.5543-83.9183105.1206-56.9805
136.08811.7328-0.24393.4982-0.00683.3056-0.2073-0.39050.58830.18360.10140.632-0.5803-0.64280.10340.97920.42090.14360.73120.09370.7304-81.6866120.1434-54.8798
141.81760.54950.4832.00720.00752.26660.1435-0.15840.25250.43170.0412-0.4102-0.35370.4182-0.18220.650.1227-0.03020.4967-0.0650.4338-49.111594.2139-45.5827
151.3575-0.23380.66661.2693-0.57612.357-0.1293-0.20640.19430.47540.0869-0.1823-0.23680.2935-0.01470.57110.1486-0.05540.4297-0.080.3488-55.950890.6102-45.8055
161.42930.2786-0.82911.187-1.66514.46830.0459-0.24860.28440.49750.33160.4962-0.20220.2879-0.15830.55120.19170.09160.3204-0.05960.3725-68.954795.4567-52.5152
170.64650.88940.24123.1298-1.41674.2262-0.313-0.35510.570.30220.18330.07510.1573-0.8528-0.15880.40220.13560.10660.4990.03710.3966-78.294878.9005-50.6679
182.01490.52751.62063.56662.2052.3080.1741-0.56070.26810.343-0.30660.63160.1207-0.80560.29730.75290.29780.31720.7081-0.00940.5251-79.118490.2616-37.7226
191.95240.310.07232.34340.22.21680.0431-0.68220.00270.79680.0209-0.3428-0.18240.2229-0.08410.45690.0832-0.04240.5632-0.0070.3551-50.235561.5324-37.6177
201.7311-0.03050.441.7143-0.3680.5084-0.2763-0.7385-0.27691.0059-0.0386-0.33910.31080.48370.15120.84570.2411-0.07080.91910.19310.496-47.673147.627-26.5452
211.61842.0613-0.28824.22310.06420.3358-0.10170.26230.3291-0.12590.26850.2236-0.14430.360.05150.27710.1318-0.0010.4595-0.00230.2434-58.078772.3026-59.8869
222.18120.44910.10163.77911.47882.9887-0.1241-0.00210.5802-0.44060.2591-0.7952-0.82070.2989-0.15210.76360.2537-0.01790.4126-0.05620.6277-48.00489.7966-56.7727
231.4578-0.4109-0.02273.7156-0.96471.4291-0.1837-0.3893-0.28560.6496-0.0834-0.1515-0.1903-0.27910.11910.35590.11250.10720.56970.06090.3264-65.439353.7538-38.2438
241.10520.1352-0.34160.9425-0.11810.84710.0441-0.30490.00630.3837-0.18490.321-0.0915-0.4325-0.01480.28480.11150.15460.3984-0.02860.3785-66.350862.8853-48.1612
250.90731.3264-1.28113.9216-0.50332.6752-0.2843-0.0565-0.06450.01370.44780.7514-0.1939-0.4937-0.29820.21750.06780.04730.43820.13810.5872-74.678458.3276-60.4005
261.5614-1.0871-1.52813.1642.04112.7921-0.0199-0.1067-0.24190.46910.23380.75970.1468-0.5334-0.03410.39470.18170.25490.62560.16120.6196-79.077255.5287-42.8125
270.50820.028-0.06082.5187-0.12570.7662-0.0456-0.2341-0.18240.6284-0.0362-0.11780.16860.05740.04780.27330.0821-0.02310.45870.13690.3824-49.2324.2299-50.2641
281.6490.8098-0.21874.6573-0.93492.3515-0.2758-0.0483-0.04410.04360.0803-0.70210.36170.28180.15390.2640.01830.06420.38460.12080.4186-51.09417.0405-55.883
291.1858-0.2865-0.15982.20070.17931.02350.0183-0.12070.11950.0605-0.0621-0.2355-0.2033-0.0412-0.0320.0810.05940.02990.32350.11630.2754-51.758447.6709-58.3229
300.77940.44630.46034.4114-0.0150.53140.2456-0.5964-0.5730.5926-0.13140.49050.0307-0.29140.19940.2617-0.04660.17120.38620.15360.7282-66.469824.9504-58.4901
311.94550.38510.44741.3630.74471.6423-0.10010.1879-0.0084-0.13840.05230.4359-0.0787-0.17630.11960.13340.07880.010.31650.05740.4291-62.605542.3498-70.1127
326.1808-2.16850.11883.3699-0.06344.63060.21020.4483-0.1472-0.22-0.11560.69140.1509-0.80870.22440.13350.04410.06740.44930.04840.6957-74.786534.2609-68.9349
330.3975-0.1151-0.27241.01660.16421.20570.03190.0193-0.2094-0.15870.01420.05710.0440.0063-0.01850.0214-0.0355-0.01330.30580.10830.2943-43.518928.2271-82.5185
341.1941-0.37980.35993.04321.14582.58580.1185-0.5605-0.57850.97470.03180.49781.3427-0.7127-0.33420.6669-0.0673-0.01140.42750.05050.5372-43.04871.7705-75.9123
352.252-0.47051.19412.9029-0.06754.7888-0.0022-0.2433-0.41530.5030.0458-0.33741.2465-0.03190.0260.5228-0.0193-0.0590.34920.02130.6215-39.4607-4.1283-86.092
361.3946-3.0667-0.43598.32960.7521.561-0.2880.31030.1012-0.1220.0813-0.8350.17280.4250.11760.3094-0.02260.01710.4372-0.01690.5025-35.387.9463-90.5654
370.91880.1595-0.45151.5421-0.62063.114-0.0508-0.20830.10580.3333-0.0783-0.1176-0.07070.53570.03180.14070.0648-0.06270.35330.02260.309-41.077537.3085-64.2643
380.9695-0.09080.23520.72950.41531.2290.03250.1752-0.1162-0.054-0.11540.222-0.1484-0.30210.04990.0618-0.0008-0.03180.3752-0.00810.4333-48.754727.7107-89.8726
392.00810.2843-2.09441.39661.06933.54280.21920.196-0.1422-0.3539-0.15450.7471-0.3584-0.31810.40470.2020.0774-0.22510.33180.03060.392-47.867241.6366-98.3152
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1251.5616-0.02740.37625.8916-3.24754.1112-0.1837-0.06560.07920.0371-0.11760.46010.7224-0.29190.23210.9114-0.04920.1960.38320.14160.6056-47.9055-54.2351-52.5038
1262.7957-0.36260.3864.5599-2.30664.5237-0.17780.3049-0.1673-0.5322-0.2070.28750.7329-0.08570.41090.7757-0.03150.02440.34690.12210.5896-45.0147-50.7271-63.7979
1274.2608-1.5869-5.03330.741.44927.2027-0.17720.5995-0.4890.04720.40380.28451.0883-0.4815-0.11380.913-0.10730.01290.4314-0.07470.936-51.3561-59.0536-60.6932
1287.462.7809-4.48153.7432-3.96964.71540.1963-1.0095-0.1950.7073-0.43690.3995-0.72170.2226-0.29340.8549-0.0310.15650.2680.06680.6941-41.4272-38.6065-47.7673
1292.48421.0755-1.46445.74680.74381.2488-0.33151.01430.4733-1.48690.3366-0.1878-0.4933-0.09990.05250.81450.00590.03030.68740.1350.641-30.566-37.9695-79.4498
1302.83443.2937-2.05324.4043-2.59112.2218-0.08650.1301-0.1292-0.31390.06720.46380.3866-0.12140.1590.65380.0410.07180.29270.05210.5323-44.2009-45.3588-56.1902
1316.9813.9736-0.90674.39030.00280.24730.232-0.2108-0.9395-0.4105-0.05150.32171.0388-0.1596-0.10031.232-0.06560.17680.38490.08150.843-48.7193-68.2185-58.4433
1324.70530.30642.84286.0295-3.85154.4267-0.04590.401-0.32670.0902-0.4611-0.00130.46930.26440.3040.64890.05680.22270.25420.09080.7491-36.5076-54.275-56.325
1333.54860.3118-0.01594.30490.03882.83310.0847-0.4485-0.22250.30220.17580.99030.5495-0.4825-0.32581.0307-0.18850.17370.48330.04761.0267-57.6516-57.2914-46.7265
1341.88810.33130.07213.61640.05682.2501-0.02380.1119-0.059-0.17670.00280.54990.01450.0405-0.13160.6789-0.0847-0.03610.40950.02481.1294-53.9355-49.4587-68.3511
1353.02860.53820.91475.09791.95876.98150.1544-0.2241-0.16880.4109-0.31071.12770.6474-0.42280.17540.7947-0.19030.11780.55040.08321.314-60.9501-49.4004-53.5186
1361.9244-0.344-0.29351.450.58352.91850.05190.0887-0.147-0.5081-0.08780.6954-0.026-0.54370.16640.7755-0.1403-0.23780.55130.07440.8875-64.4619-31.8377-79.04
1372.41790.40691.59191.0260.68212.2778-0.1125-0.05650.0397-0.0753-0.10730.44470.2388-0.23220.14820.4161-0.02390.02950.35940.12940.6123-49.2528-20.8652-45.279
1381.4148-0.03930.21720.3334-0.95962.76480.0674-0.1884-0.69830.69450.1382-0.17551.16740.0787-0.43031.81510.3608-0.1430.64610.13930.8633-5.9542-53.87538.5441
1391.93951.20791.91160.79671.09362.0871-0.35290.1658-0.19380.78170.3976-0.39780.58460.8715-0.06871.21710.7265-0.19131.4115-0.04250.89953.5664-43.48046.2156
1401.12311.89521.56446.47647.2828.7564-0.8231-0.4652-0.9170.43370.6809-0.45910.14150.51490.071.72060.6692-0.07971.3396-0.18490.69720.5537-54.8462-0.161
1413.98261.1770.08743.3634-0.06870.0050.00170.3769-0.4906-0.53210.0046-0.47930.2655-0.03870.01481.38310.2401-0.31310.80650.01330.7005-5.1969-46.53370.1793
1425.85361.0868-0.87962.2509-1.40973.19130.1097-0.2398-0.39250.18720.26770.52730.5068-0.5298-0.62221.7147-0.07430.02180.5730.25360.722-18.228-49.002310.5595
1437.2999-1.35280.01874.3665-1.25785.6085-0.36410.1150.11621.0090.4460.09520.02190.2283-0.21941.3199-0.0667-0.21890.42040.08620.5521-13.9824-35.45097.8716
1449.0302-2.44061.35558.118-0.79518.52670.36150.0467-0.4860.01990.30410.2450.282-0.8657-0.50191.0524-0.0035-0.14310.58380.11430.3761-19.5516-38.22580.6486
1457.966-1.45971.10474.6227-1.58657.57230.11610.10520.45060.8426-0.2161-0.1006-0.4536-0.4175-0.05881.0238-0.09180.02590.47090.07190.3389-29.8055-22.6951-3.3378
1462.267-1.94561.68041.6949-1.74024.75750.2473-0.1113-0.32390.172-0.10340.52160.356-0.7682-0.10910.65220.06370.05270.38460.02420.4902-35.6023-17.4181-13.8481
1471.47571.15480.28311.5571-0.58563.5502-0.10750.0423-0.11640.03770.0383-0.2375-0.1174-0.07170.06250.49740.1410.01770.33960.11570.3969-32.0369-15.3439-23.0509
1480.8578-0.55710.70560.3625-0.47890.8782-0.3129-0.0012-0.0172-0.49890.15630.53430.57820.4-0.02960.58940.01910.11710.33770.0530.461-34.0724-42.6558-65.8062
1490.52210.5820.72983.19141.87241.834-0.13480.0520.04-0.3485-0.14070.2278-0.234-0.20460.20820.36990.0236-0.06850.47770.23560.4153-14.7422-8.4403-48.0132
1500.0004-0.19020.00960.1878-0.0309-0.0026-0.2795-0.04950.45180.18240.37960.3541-0.097-0.7743-0.12211.05360.0864-0.25710.40360.14150.6534-14.4119-7.236.4592
1511.77430.9963-0.06270.65970.21652.9602-0.31740.3346-0.2732-0.2159-0.20960.3586-0.10080.4940.17441.28720.3265-0.11630.583-0.0690.6727-2.1933-43.588830.7166
1522.4234-0.80280.57911.8261-0.16282.21120.51970.6219-0.28770.0477-0.4013-0.04720.51170.4295-0.15971.69270.570.03350.78580.13390.635414.7043-65.154316.3229
1531.2613-0.14-0.3220.2280.49551.14110.12550.5977-0.3779-0.017-0.11950.0999-0.0087-0.17350.06821.62620.61370.06561.1780.23871.154526.3272-72.032318.4194
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 36 )
2X-RAY DIFFRACTION2chain 'A' and (resid 37 through 97 )
3X-RAY DIFFRACTION3chain 'A' and (resid 98 through 143 )
4X-RAY DIFFRACTION4chain 'A' and (resid 144 through 199 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 57 )
6X-RAY DIFFRACTION6chain 'B' and (resid 58 through 79 )
7X-RAY DIFFRACTION7chain 'B' and (resid 80 through 144 )
8X-RAY DIFFRACTION8chain 'B' and (resid 145 through 184 )
9X-RAY DIFFRACTION9chain 'B' and (resid 185 through 221 )
10X-RAY DIFFRACTION10chain 'B' and (resid 222 through 260 )
11X-RAY DIFFRACTION11chain 'B' and (resid 261 through 284 )
12X-RAY DIFFRACTION12chain 'B' and (resid 285 through 337 )
13X-RAY DIFFRACTION13chain 'B' and (resid 338 through 362 )
14X-RAY DIFFRACTION14chain 'C' and (resid 1 through 129 )
15X-RAY DIFFRACTION15chain 'C' and (resid 130 through 260 )
16X-RAY DIFFRACTION16chain 'C' and (resid 261 through 284 )
17X-RAY DIFFRACTION17chain 'C' and (resid 285 through 323 )
18X-RAY DIFFRACTION18chain 'C' and (resid 324 through 363 )
19X-RAY DIFFRACTION19chain 'D' and (resid 1 through 115 )
20X-RAY DIFFRACTION20chain 'D' and (resid 116 through 184 )
21X-RAY DIFFRACTION21chain 'D' and (resid 185 through 201 )
22X-RAY DIFFRACTION22chain 'D' and (resid 202 through 221 )
23X-RAY DIFFRACTION23chain 'D' and (resid 222 through 260 )
24X-RAY DIFFRACTION24chain 'D' and (resid 261 through 293 )
25X-RAY DIFFRACTION25chain 'D' and (resid 294 through 322 )
26X-RAY DIFFRACTION26chain 'D' and (resid 323 through 362 )
27X-RAY DIFFRACTION27chain 'E' and (resid 1 through 145 )
28X-RAY DIFFRACTION28chain 'E' and (resid 146 through 184 )
29X-RAY DIFFRACTION29chain 'E' and (resid 185 through 238 )
30X-RAY DIFFRACTION30chain 'E' and (resid 239 through 260 )
31X-RAY DIFFRACTION31chain 'E' and (resid 261 through 323 )
32X-RAY DIFFRACTION32chain 'E' and (resid 324 through 363 )
33X-RAY DIFFRACTION33chain 'F' and (resid 1 through 57 )
34X-RAY DIFFRACTION34chain 'F' and (resid 58 through 79 )
35X-RAY DIFFRACTION35chain 'F' and (resid 80 through 163 )
36X-RAY DIFFRACTION36chain 'F' and (resid 164 through 184 )
37X-RAY DIFFRACTION37chain 'F' and (resid 185 through 221 )
38X-RAY DIFFRACTION38chain 'F' and (resid 222 through 304 )
39X-RAY DIFFRACTION39chain 'F' and (resid 305 through 323 )
40X-RAY DIFFRACTION40chain 'F' and (resid 324 through 363 )
41X-RAY DIFFRACTION41chain 'G' and (resid 2 through 57 )
42X-RAY DIFFRACTION42chain 'G' and (resid 58 through 155 )
43X-RAY DIFFRACTION43chain 'G' and (resid 156 through 195 )
44X-RAY DIFFRACTION44chain 'G' and (resid 196 through 221 )
45X-RAY DIFFRACTION45chain 'G' and (resid 222 through 322 )
46X-RAY DIFFRACTION46chain 'G' and (resid 323 through 363 )
47X-RAY DIFFRACTION47chain 'H' and (resid 1 through 19 )
48X-RAY DIFFRACTION48chain 'H' and (resid 20 through 32 )
49X-RAY DIFFRACTION49chain 'H' and (resid 33 through 68 )
50X-RAY DIFFRACTION50chain 'H' and (resid 69 through 89 )
51X-RAY DIFFRACTION51chain 'H' and (resid 90 through 102 )
52X-RAY DIFFRACTION52chain 'H' and (resid 103 through 122 )
53X-RAY DIFFRACTION53chain 'H' and (resid 123 through 138 )
54X-RAY DIFFRACTION54chain 'H' and (resid 139 through 157 )
55X-RAY DIFFRACTION55chain 'H' and (resid 158 through 183 )
56X-RAY DIFFRACTION56chain 'H' and (resid 184 through 201 )
57X-RAY DIFFRACTION57chain 'H' and (resid 202 through 219 )
58X-RAY DIFFRACTION58chain 'I' and (resid 1 through 84 )
59X-RAY DIFFRACTION59chain 'I' and (resid 85 through 124 )
60X-RAY DIFFRACTION60chain 'I' and (resid 125 through 176 )
61X-RAY DIFFRACTION61chain 'I' and (resid 177 through 219 )
62X-RAY DIFFRACTION62chain 'I' and (resid 220 through 283 )
63X-RAY DIFFRACTION63chain 'I' and (resid 284 through 342 )
64X-RAY DIFFRACTION64chain 'I' and (resid 343 through 374 )
65X-RAY DIFFRACTION65chain 'I' and (resid 375 through 427 )
66X-RAY DIFFRACTION66chain 'I' and (resid 428 through 495 )
67X-RAY DIFFRACTION67chain 'J' and (resid 4 through 67 )
68X-RAY DIFFRACTION68chain 'J' and (resid 68 through 86 )
69X-RAY DIFFRACTION69chain 'J' and (resid 87 through 124 )
70X-RAY DIFFRACTION70chain 'J' and (resid 125 through 141 )
71X-RAY DIFFRACTION71chain 'J' and (resid 142 through 159 )
72X-RAY DIFFRACTION72chain 'K' and (resid 3 through 16 )
73X-RAY DIFFRACTION73chain 'K' and (resid 17 through 26 )
74X-RAY DIFFRACTION74chain 'K' and (resid 27 through 44 )
75X-RAY DIFFRACTION75chain 'K' and (resid 45 through 54 )
76X-RAY DIFFRACTION76chain 'K' and (resid 55 through 86 )
77X-RAY DIFFRACTION77chain 'K' and (resid 87 through 124 )
78X-RAY DIFFRACTION78chain 'K' and (resid 125 through 160 )
79X-RAY DIFFRACTION79chain 'L' and (resid 1 through 10 )
80X-RAY DIFFRACTION80chain 'L' and (resid 11 through 20 )
81X-RAY DIFFRACTION81chain 'L' and (resid 21 through 35 )
82X-RAY DIFFRACTION82chain 'L' and (resid 36 through 40 )
83X-RAY DIFFRACTION83chain 'L' and (resid 41 through 50 )
84X-RAY DIFFRACTION84chain 'L' and (resid 51 through 55 )
85X-RAY DIFFRACTION85chain 'L' and (resid 56 through 60 )
86X-RAY DIFFRACTION86chain 'M' and (resid 1 through 82 )
87X-RAY DIFFRACTION87chain 'M' and (resid 83 through 199 )
88X-RAY DIFFRACTION88chain 'N' and (resid 2 through 84 )
89X-RAY DIFFRACTION89chain 'N' and (resid 85 through 129 )
90X-RAY DIFFRACTION90chain 'N' and (resid 130 through 184 )
91X-RAY DIFFRACTION91chain 'N' and (resid 185 through 221 )
92X-RAY DIFFRACTION92chain 'N' and (resid 222 through 304 )
93X-RAY DIFFRACTION93chain 'N' and (resid 305 through 362 )
94X-RAY DIFFRACTION94chain 'O' and (resid 2 through 78 )
95X-RAY DIFFRACTION95chain 'O' and (resid 79 through 184 )
96X-RAY DIFFRACTION96chain 'O' and (resid 185 through 221 )
97X-RAY DIFFRACTION97chain 'O' and (resid 222 through 260 )
98X-RAY DIFFRACTION98chain 'O' and (resid 261 through 362 )
99X-RAY DIFFRACTION99chain 'P' and (resid 1 through 57 )
100X-RAY DIFFRACTION100chain 'P' and (resid 58 through 284 )
101X-RAY DIFFRACTION101chain 'P' and (resid 285 through 362 )
102X-RAY DIFFRACTION102chain 'Q' and (resid 1 through 57 )
103X-RAY DIFFRACTION103chain 'Q' and (resid 58 through 115 )
104X-RAY DIFFRACTION104chain 'Q' and (resid 116 through 145 )
105X-RAY DIFFRACTION105chain 'Q' and (resid 146 through 175 )
106X-RAY DIFFRACTION106chain 'Q' and (resid 176 through 322 )
107X-RAY DIFFRACTION107chain 'Q' and (resid 323 through 363 )
108X-RAY DIFFRACTION108chain 'R' and (resid 1 through 115 )
109X-RAY DIFFRACTION109chain 'R' and (resid 116 through 175 )
110X-RAY DIFFRACTION110chain 'R' and (resid 176 through 200 )
111X-RAY DIFFRACTION111chain 'R' and (resid 201 through 238 )
112X-RAY DIFFRACTION112chain 'R' and (resid 239 through 284 )
113X-RAY DIFFRACTION113chain 'R' and (resid 285 through 322 )
114X-RAY DIFFRACTION114chain 'R' and (resid 323 through 363 )
115X-RAY DIFFRACTION115chain 'S' and (resid 2 through 57 )
116X-RAY DIFFRACTION116chain 'S' and (resid 58 through 112 )
117X-RAY DIFFRACTION117chain 'S' and (resid 113 through 163 )
118X-RAY DIFFRACTION118chain 'S' and (resid 164 through 184 )
119X-RAY DIFFRACTION119chain 'S' and (resid 185 through 212 )
120X-RAY DIFFRACTION120chain 'S' and (resid 213 through 238 )
121X-RAY DIFFRACTION121chain 'S' and (resid 239 through 284 )
122X-RAY DIFFRACTION122chain 'S' and (resid 285 through 304 )
123X-RAY DIFFRACTION123chain 'S' and (resid 305 through 338 )
124X-RAY DIFFRACTION124chain 'S' and (resid 339 through 362 )
125X-RAY DIFFRACTION125chain 'T' and (resid 1 through 19 )
126X-RAY DIFFRACTION126chain 'T' and (resid 20 through 50 )
127X-RAY DIFFRACTION127chain 'T' and (resid 51 through 68 )
128X-RAY DIFFRACTION128chain 'T' and (resid 69 through 88 )
129X-RAY DIFFRACTION129chain 'T' and (resid 89 through 103 )
130X-RAY DIFFRACTION130chain 'T' and (resid 104 through 122 )
131X-RAY DIFFRACTION131chain 'T' and (resid 123 through 138 )
132X-RAY DIFFRACTION132chain 'T' and (resid 139 through 157 )
133X-RAY DIFFRACTION133chain 'T' and (resid 158 through 192 )
134X-RAY DIFFRACTION134chain 'T' and (resid 193 through 210 )
135X-RAY DIFFRACTION135chain 'T' and (resid 211 through 219 )
136X-RAY DIFFRACTION136chain 'U' and (resid 1 through 374 )
137X-RAY DIFFRACTION137chain 'U' and (resid 375 through 496 )
138X-RAY DIFFRACTION138chain 'V' and (resid 4 through 26 )
139X-RAY DIFFRACTION139chain 'V' and (resid 27 through 37 )
140X-RAY DIFFRACTION140chain 'V' and (resid 38 through 51 )
141X-RAY DIFFRACTION141chain 'V' and (resid 52 through 67 )
142X-RAY DIFFRACTION142chain 'V' and (resid 68 through 86 )
143X-RAY DIFFRACTION143chain 'V' and (resid 87 through 129 )
144X-RAY DIFFRACTION144chain 'V' and (resid 130 through 160 )
145X-RAY DIFFRACTION145chain 'W' and (resid 5 through 51 )
146X-RAY DIFFRACTION146chain 'W' and (resid 52 through 94 )
147X-RAY DIFFRACTION147chain 'W' and (resid 95 through 160 )
148X-RAY DIFFRACTION148chain 'X' and (resid 1 through 10 )
149X-RAY DIFFRACTION149chain 'X' and (resid 11 through 20 )
150X-RAY DIFFRACTION150chain 'X' and (resid 21 through 35 )
151X-RAY DIFFRACTION151chain 'X' and (resid 36 through 40 )
152X-RAY DIFFRACTION152chain 'X' and (resid 41 through 50 )
153X-RAY DIFFRACTION153chain 'X' and (resid 51 through 60 )

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