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- PDB-7tlf: Structure of the photoacclimated Light Harvesting Complex PE545 f... -

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Basic information

Entry
Database: PDB / ID: 7tlf
TitleStructure of the photoacclimated Light Harvesting Complex PE545 from Proteomonas sulcata
Components
  • (Phycoerythrin alpha-subunit ...) x 2
  • Phycoerythrin beta-subunit
KeywordsPHOTOSYNTHESIS / phycobiliprotein / thylakoid lumen
Function / homology
Function and homology information


phycobilisome / chloroplast thylakoid membrane / photosynthesis
Similarity search - Function
Phycoerythrin alpha chain / Phycoerythrin-like alpha chain superfamily / Phycoerythrin, alpha/beta chain / Globular protein, non-globular alpha/beta subunit
Similarity search - Domain/homology
15,16-DIHYDROBILIVERDIN / PHYCOERYTHROBILIN / Phycoerythrin alpha-subunit 1 / Phycoerythrin alpha-subunit 2
Similarity search - Component
Biological speciesProteomonas sulcata (eukaryote)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
AuthorsJeffrey, P.D. / Spangler, L.C. / Scholes, G.D.
Funding support Canada, 1items
OrganizationGrant numberCountry
Canadian Institute for Advanced Research (CIFAR) Canada
CitationJournal: Acs Cent.Sci. / Year: 2022
Title: Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Authors: Spangler, L.C. / Yu, M. / Jeffrey, P.D. / Scholes, G.D.
History
DepositionJan 18, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 9, 2022Provider: repository / Type: Initial release
Revision 1.1Apr 20, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.2Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phycoerythrin alpha-subunit 1
B: Phycoerythrin beta-subunit
C: Phycoerythrin alpha-subunit 2
D: Phycoerythrin beta-subunit
E: Phycoerythrin alpha-subunit 1
G: Phycoerythrin alpha-subunit 2
F: Phycoerythrin beta-subunit
H: Phycoerythrin beta-subunit
I: Phycoerythrin alpha-subunit 1
K: Phycoerythrin alpha-subunit 2
J: Phycoerythrin beta-subunit
L: Phycoerythrin beta-subunit
M: Phycoerythrin alpha-subunit 1
O: Phycoerythrin alpha-subunit 2
N: Phycoerythrin beta-subunit
P: Phycoerythrin beta-subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)228,47648
Polymers209,67016
Non-polymers18,80632
Water81145
1
A: Phycoerythrin alpha-subunit 1
B: Phycoerythrin beta-subunit
C: Phycoerythrin alpha-subunit 2
D: Phycoerythrin beta-subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,11912
Polymers52,4184
Non-polymers4,7018
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area20930 Å2
ΔGint-172 kcal/mol
Surface area18390 Å2
MethodPISA
2
E: Phycoerythrin alpha-subunit 1
G: Phycoerythrin alpha-subunit 2
F: Phycoerythrin beta-subunit
H: Phycoerythrin beta-subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,11912
Polymers52,4184
Non-polymers4,7018
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22500 Å2
ΔGint-181 kcal/mol
Surface area17460 Å2
MethodPISA
3
I: Phycoerythrin alpha-subunit 1
K: Phycoerythrin alpha-subunit 2
J: Phycoerythrin beta-subunit
L: Phycoerythrin beta-subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,11912
Polymers52,4184
Non-polymers4,7018
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22620 Å2
ΔGint-179 kcal/mol
Surface area17740 Å2
MethodPISA
4
M: Phycoerythrin alpha-subunit 1
O: Phycoerythrin alpha-subunit 2
N: Phycoerythrin beta-subunit
P: Phycoerythrin beta-subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,11912
Polymers52,4184
Non-polymers4,7018
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area22550 Å2
ΔGint-179 kcal/mol
Surface area17830 Å2
MethodPISA
Unit cell
Length a, b, c (Å)88.249, 132.237, 93.413
Angle α, β, γ (deg.)90.000, 116.920, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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Phycoerythrin alpha-subunit ... , 2 types, 8 molecules AEIMCGKO

#1: Protein
Phycoerythrin alpha-subunit 1


Mass: 8156.372 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Proteomonas sulcata (eukaryote) / References: UniProt: A0A067YS87
#3: Protein
Phycoerythrin alpha-subunit 2


Mass: 7151.202 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Proteomonas sulcata (eukaryote) / References: UniProt: A0A067YSJ2

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Protein , 1 types, 8 molecules BDFHJLNP

#2: Protein
Phycoerythrin beta-subunit


Mass: 18555.010 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Proteomonas sulcata (eukaryote)

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Non-polymers , 3 types, 77 molecules

#4: Chemical
ChemComp-DBV / 15,16-DIHYDROBILIVERDIN


Mass: 584.662 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C33H36N4O6 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical...
ChemComp-PEB / PHYCOERYTHROBILIN / Phycoerythrobilin


Mass: 588.694 Da / Num. of mol.: 24 / Source method: isolated from a natural source / Formula: C33H40N4O6 / Feature type: SUBJECT OF INVESTIGATION
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 45 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.38 Å3/Da / Density % sol: 48.3 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 25% PEG 3350, 50 mM HEPES, 100 mM MgCl2, and 15% glycerol.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-2 / Wavelength: 0.979493 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 10, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979493 Å / Relative weight: 1
ReflectionResolution: 2.78→29.35 Å / Num. obs: 46887 / % possible obs: 97.2 % / Redundancy: 5.1 % / CC1/2: 0.989 / Rmerge(I) obs: 0.24 / Rpim(I) all: 0.115 / Rrim(I) all: 0.267 / Net I/σ(I): 5 / Num. measured all: 239812 / Scaling rejects: 4
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.78-2.884.90.9041789036610.7390.4441.0121.677.2
10.76-29.354.60.07937278110.9940.040.08910.594.5

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Processing

Software
NameVersionClassification
PHENIX1.17_3644refinement
XDSdata reduction
Aimless0.7.4data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7TJA

7tja


Resolution: 2.8→29.35 Å / SU ML: 0.49 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 38.43 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3058 2447 5.25 %
Rwork0.245 44140 -
obs0.2483 46587 98.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 162.41 Å2 / Biso mean: 55.7999 Å2 / Biso min: 2 Å2
Refinement stepCycle: final / Resolution: 2.8→29.35 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13970 0 1376 45 15391
Biso mean--45.69 27.13 -
Num. residues----1912
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 17

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.8-2.860.42931600.35092508266896
2.86-2.920.43491320.31062596272899
2.92-2.990.39421370.29092588272599
2.99-3.060.33371370.27922591272899
3.06-3.140.37251160.28862605272199
3.14-3.240.37121140.2862618273299
3.24-3.340.33071240.29292606273099
3.34-3.460.3391410.26582618275999
3.46-3.60.34971370.25162584272199
3.6-3.760.31241370.23452601273899
3.76-3.960.30671420.22962622276499
3.96-4.210.27021200.21712619273999
4.21-4.530.26091480.20942621276999
4.53-4.990.25472000.20142541274199
4.99-5.70.27221750.224525952770100
5.7-7.170.25551900.23812583277399
7.17-29.350.28091370.21782644278198
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)
12.4617-0.30471.89680.3695-0.01871.59550.88430.8826-0.09730.028-0.541-0.0173-0.197-0.1742-0.31620.65750.0934-0.1810.63550.07540.810218.80888.855735.0335
21.3062-0.7514-1.12523.01521.48821.2493-0.1216-0.084-0.3106-0.43910.5634-0.3071-0.0863-0.2348-0.32530.7221-0.023-0.18420.45150.12160.718140.77856.88229.5546
34.08932.8811-4.17954.3137-0.97995.96390.33351.21550.8021-1.34030.56861.46820.0782-0.5539-0.51120.6066-0.1867-0.12161.03760.37010.824141.601918.688930.8546
40.09810.0648-0.3120.55-0.40241.0319-0.06470.306-0.52260.3101-0.0143-0.35770.1317-0.33210.13190.3245-0.1557-0.07510.5499-0.10951.223821.6284-0.665234.801
53.12320.56050.58910.2223-0.02580.2525-0.10720.0285-0.71460.5709-0.83940.20910.51120.47140.7130.8659-0.24290.18320.8957-0.11280.862516.8134-14.415351.828
61.97291.7363-0.58823.2058-0.49781.45230.20120.4369-0.14960.8242-0.1602-0.1293-0.2632-0.1923-0.07840.33980.01370.05730.385-0.05970.237324.1116.955441.5538
72.578-0.5219-0.55820.8880.2280.84210.23630.1155-0.45090.54480.080.4388-0.3484-0.0415-0.1110.70540.01880.20830.42290.11810.183414.2024.676745.789
84.9320.736-2.42933.00321.07836.2693-0.01670.43870.16620.3952-0.3670.7044-0.4001-1.14890.18920.6182-0.03760.0650.45750.0321.29488.7549-24.845843.7087
91.166-0.1768-0.62210.89630.15932.26690.11970.17231.18330.3364-0.03790.84680.0255-0.580.05870.5782-0.12790.0140.5055-0.05470.967717.482-17.697839.074
104.5402-2.0743-3.97733.99190.96093.73040.03421.2942-0.8632-1.67520.27710.33091.88620.5782-0.35350.8768-0.1012-0.04280.8794-0.13480.432712.1724-34.064133.9039
111.62730.6815-0.34150.6528-0.11081.4169-0.21370.2348-0.25080.1748-0.25410.2922-0.0377-0.1808-0.25710.62030.27330.310.9742-0.23580.243515.1897-38.132549.9607
121.12561.0248-1.55752.6104-1.46843.27410.16220.0048-0.12740.8434-0.27560.1956-0.2579-0.04950.14490.58660.00130.05340.3922-0.13290.412929.3046-14.511237.199
131.2341-1.0757-0.13113.2618-2.17835.76910.2660.1730.5682-0.16220.28130.56790.2763-0.4398-0.49070.25350.0309-0.07050.3414-0.08450.553325.4966-20.569132.1295
142.7373.0648-4.05434.5102-5.75838.0279-0.91450.4361-0.4261-0.40510.3325-0.11560.3658-0.45560.43731.05360.1264-0.26120.7862-0.54571.128828.4899-33.542532.0215
152.86821.19-1.2721.4262-1.43479.07470.41160.04060.08780.50560.5973-0.2358-0.0987-0.5356-0.98230.42120.0223-0.09190.32070.01170.555134.9912-20.202333.6811
162.61050.2801-2.37930.2593-0.57362.6215-0.075-0.11550.65190.4090.2102-0.4099-0.061-1.02290.15391.254-0.2414-0.45980.9798-0.07510.815423.9547-19.751958.9201
174.6159-0.1493-0.79523.55620.46117.81060.25790.4381-0.01680.5492-0.1357-0.31030.05660.3383-0.070.45590.02940.00440.4471-0.2020.697434.1717-28.28941.0627
181.4730.86350.29371.46440.23681.8352-0.41620.34430.15650.38690.4307-0.35230.0610.0906-0.08120.2247-0.0034-0.00770.27780.09680.612451.754740.3895-8.7762
190.2136-0.3653-0.05172.1926-0.31410.8285-0.2272-0.2430.2639-0.09850.0085-0.2127-0.08520.03610.11260.1642-0.021-0.01260.2940.03490.302741.052625.3868-1.2134
201.78140.8121-0.73081.15420.12072.1074-0.07590.0573-0.00370.1839-0.07180.1490.3099-0.2154-0.05910.143-0.0975-0.02920.1615-0.18850.649532.73044.8388-2.2099
218.30122.2976-2.19269.26691.38682.9837-0.60980.1456-0.6958-0.76080.50140.88511.1832-1.30210.00380.4658-0.12080.04880.4934-0.18060.957923.3473-6.48995.9209
223.27422.3017-3.27644.4527-3.59415.4165-0.1694-0.1457-0.2163-0.44240.36920.42240.55930.05370.02170.22-0.0377-0.14370.18850.05490.526432.94974.7096-1.8903
234.64623.71192.08953.90863.05754.9188-0.13690.17780.04460.2436-0.7380.44790.17250.0850.58640.35090.0851-0.10880.337-0.08190.456351.393328.5852-8.0175
243.9844-0.15080.84212.7479-0.77073.44820.26210.10070.85450.3384-0.23170.0191-0.3841-0.14050.16210.14930.0276-0.02940.34510.02320.64451.932148.5084-4.0152
254.1111.6108-0.07142.4067-0.80780.74060.0904-0.11-0.4628-0.1597-0.03840.6645-0.04830.039-0.09060.20880.008-0.00220.2715-0.07810.371736.884526.75343.8077
261.41550.54860.83841.50661.2742.1203-0.30560.0304-0.1497-0.5070.17120.2321-0.363-0.24710.11360.11840.0726-0.01270.26870.19060.495134.933433.3475-1.4925
279.49173.18713.01565.91440.53712.6307-0.4092-0.06680.6955-0.0648-0.15360.316-0.6425-0.02090.23260.3186-0.03050.10820.23570.26290.444633.540145.9512.4335
286.83711.28123.04190.24060.59593.16980.101-0.29540.4104-0.0004-0.0836-0.0299-0.28090.53930.09380.1927-0.0557-0.03610.44630.10281.422120.952535.30052.4083
299.59880.10592.64540.5110.20280.77990.1177-0.9781-0.35780.32230.1958-0.32750.19280.0458-0.26530.2707-0.08240.04750.394-0.07070.217337.209130.179110.1852
300.7997-0.322-0.11450.36940.51370.9920.2856-0.05670.3422-0.05620.1722-0.2398-0.53430.68160.3962-0.1318-0.10510.54250.42920.0128-0.244355.278530.57599.9829
311.82370.7646-0.67924.7658-0.72093.6596-0.0459-1.14440.0283-0.20890.31710.2338-0.41150.1354-0.21150.46190.00780.29950.3277-0.11450.674637.624439.757311.4778
323.9382-4.033-1.07568.918-2.51183.6620.40360.86230.1579-1.8156-0.9087-0.02241.01950.46470.29570.54450.0391-0.13240.43940.03930.431832.3828-2.3198-7.3404
332.50460.8984-1.01133.2735-1.40541.2913-0.05250.0884-0.4608-0.4595-0.2023-0.01130.14020.12650.18230.26510.0126-0.06520.26820.03530.212347.03488.3255-4.9223
341.56040.3952-0.38342.8839-1.85032.7970.0059-0.0045-0.1929-0.24620.01810.01480.3813-0.03230.07530.5331-0.0040.12190.0930.44090.138857.14528.1551-19.1656
352.49340.6599-0.67091.6143-0.92052.75980.235-0.1981-0.0429-0.1082-0.0954-0.26860.04340.2328-0.08340.0390.07640.16380.3660.06130.664950.544710.91727.2209
363.0796-2.32561.31723.40620.29125.873-0.30860.00320.34860.1633-0.0407-0.5549-0.17130.5450.20740.24840.0236-0.06980.34120.20270.714955.1682.0639-1.1143
372.2213-2.74711.53713.4087-1.87761.098-0.09290.2292-0.0992-0.5239-0.1256-0.04620.22110.1107-0.01180.889-0.23830.05910.75080.08520.403548.3876-46.309137.0407
380.61240.01250.37520.50550.06780.23410.03550.06860.0047-0.201-0.0521-0.0578-0.174-0.5061-0.1380.5613-0.0591-0.06950.50750.1601-0.183764.3468-44.289848.8885
393.8223-1.1198-0.63350.9523-0.43280.7191-0.4373-0.8576-0.31450.43950.62870.05850.4435-0.3783-0.24780.7360.0499-0.0530.51170.08320.471971.8414-43.552762.6644
401.1679-0.28140.74670.3977-0.45041.0663-0.0923-0.26470.08030.10590.31740.1156-0.1289-0.14150.01430.53420.1950.15090.72950.1440.120269.0203-49.757156.432
410.20950.2410.15794.8116-0.5220.21-0.2894-0.10530.6744-0.10750.07-0.4034-0.58190.13420.04810.44490.0253-0.1230.3816-0.25890.654955.1005-25.20139.7792
429.0884-5.8679-2.39515.47012.31661.45350.15440.34810.074-0.3033-0.3163-0.15190.1445-1.28730.1070.4096-0.11070.15470.5604-0.12250.687168.5848-22.536828.318
431.44140.5998-0.26570.9967-0.44132.74520.0580.0360.64950.05080.2007-0.2054-0.3692-0.4456-0.2260.57060.1027-0.03350.27410.02960.685457.945-10.728335.7468
444.4887-2.6614-2.04024.34250.02741.8087-0.13191.41220.7387-0.81670.3695-0.5858-0.7657-0.941-0.26140.6350.03860.08070.60970.13371.03157.02840.340422.9322
450.537-0.3456-0.82251.5361-1.58724.8711-0.14580.25690.2573-0.14760.1758-0.1066-0.5968-0.3885-0.20760.516-0.08240.00050.55730.22990.328258.4255-10.665335.4971
460.00950.11810.01141.6810.12240.24220.2038-0.1343-0.04460.2702-0.0893-0.1799-0.0177-0.0188-0.03820.48390.00670.09130.50630.10660.28866.385-34.663652.9316
478.62664.29696.90914.89532.70355.7742-0.60160.01680.0347-0.3254-0.19460.23850.4197-0.35080.38710.6125-0.0813-0.12560.8006-0.43310.782659.6863-53.764150.0899
481.6745-0.72110.7421.2393-0.68021.28880.03850.00990.2583-0.1385-0.0693-0.0034-0.02050.02050.05030.32190.0304-0.02110.31990.03050.295364.4945-40.829535.2567
492.0899-0.00871.61090.5430.77952.37120.2338-1.02720.19280.77060.1689-0.04690.2299-0.2196-0.06140.88210.16180.25620.6414-0.17210.232655.7285-2.382139.4775
501.1998-0.19091.18281.4934-1.34781.9876-0.00240.20620.067-0.1991-0.2042-0.64330.4070.26580.1110.35860.00770.09830.4285-0.07440.358369.404-12.367138.5
514.8479-1.46950.00921.04730.10291.4270.1539-0.2235-0.22380.25160.02680.7483-0.1673-0.25350.0650.8520.3361-0.0090.5142-0.19440.575966.0385-30.07663.0702
520.65720.04830.37851.42690.08860.5337-0.0398-0.18210.34090.48620.3279-0.1111-0.6034-0.0163-0.24090.50750.1806-0.04680.5134-0.12010.389163.156-15.894850.4037
531.2363-0.2364-0.91891.2636-0.30420.87580.1549-0.11410.22880.6297-0.04560.2223-0.6398-0.1109-0.27790.91710.12450.18240.4419-0.37180.406166.4001-3.049452.2458
543.3085-0.6605-1.09392.9948-1.43655.0223-0.4245-0.1725-0.37030.40770.0978-0.1437-0.58690.21680.36770.46320.069-0.09790.2920.04670.480473.2033-17.714849.6193
555.0072-0.4824-3.46482.86071.74339.50640.1479-0.1780.63030.46790.1346-0.662-0.09260.96920.06290.46910.0751-0.12060.3820.04030.517476.7877-10.804943.1506
561.1013-0.296-0.79990.1090.25210.6264-0.29650.1948-0.0709-0.22890.02930.26630.2613-0.23940.15490.716-0.1092-0.140.6625-0.43820.865769.3505-15.8213-4.5995
570.6280.19781.43660.06790.48753.39380.14820.0905-0.2490.03580.26730.6168-0.00830.3507-0.25260.3085-0.0209-0.15960.69820.13760.875485.5586-13.80757.0261
581.3076-0.1687-0.52960.2685-0.62582.1643-0.6162-0.840.90680.46260.076-0.1384-0.02430.3110.31190.34650.148-0.20420.3646-0.14880.907697.6385-11.364818.4807
591.06631.2672-0.76611.6058-0.92650.5528-0.278-0.0576-0.2397-0.0770.0873-0.07110.56790.00630.34550.53380.11430.25651.08290.46030.366188.9237-14.992922.6943
600.29340.1310.11362.02470.03240.04340.3001-0.2720.48290.40560.37730.3361-0.0305-0.4744-0.38740.39840.01180.14550.6613-0.02050.255694.4827-24.584120.5715
611.563-0.416-0.83970.14870.25290.4723-0.415-0.8609-0.65-0.0330.6074-0.33180.2621-0.2686-0.26360.2689-0.0152-0.17450.54470.19541.205288.6042-17.068611.8645
620.5189-1.39270.32973.8756-0.31852.47930.4734-0.1585-1.22810.35320.28680.02620.031-0.0511-0.62560.34750.0109-0.03620.51750.15161.100276.26065.3802-1.8057
634.1596-2.372-0.53661.41450.29070.07280.3043-0.2076-0.1842-0.5257-0.46940.2820.1392-0.31640.09630.5357-00.01650.37580.03690.557889.89837.8796-12.7317
640.8159-0.57530.69522.8984-1.4651.0224-0.15290.11630.3156-0.1381-0.34830.2551-0.2181-0.30950.58260.34250.0250.00710.4011-0.06860.839478.859922.2698-8.5235
651.6653-1.18840.42361.1832-0.50640.3412-0.1437-0.2182-0.23420.11310.20630.6291-0.1151-0.0285-0.06780.44760.0592-0.12480.4897-0.22540.872783.54877.92752.4614
661.2996-0.4810.78020.6762-0.03150.59440.0786-0.04970.0461-0.08350.19730.24860.412-0.34090.07920.6881-0.04060.31940.56810.36260.248580.3497-22.928.7381
670.4364-0.64040.75771.3172-0.52871.1639-0.0621-0.0072-0.5579-0.19980.1778-0.0057-0.0627-0.1694-0.07730.2875-0.0813-0.05530.3966-0.07470.960484.2127-8.5244-3.7768
684.0288-3.16022.20833.1442-2.10982.56190.08540.2865-0.122-1.00970.44640.61620.51130.0466-0.51450.718-0.0323-0.3630.4342-0.06591.146674.9158-16.3401-11.4313
691.1705-0.7316-1.03843.4578-0.64141.55120.0142-0.0729-0.28-0.36890.23770.5079-0.2994-0.0464-0.22040.31960.0729-0.0060.3019-0.04150.485292.2335-5.7693-7.8981
701.9812-1.41271.55991.5463-2.47014.7031-0.11310.892-0.7876-0.9447-0.25150.55850.28350.8673-0.03050.53180.0483-0.1090.5156-0.12030.613493.0506-15.949-9.1141
711.59263.04150.2235.83010.68473.59120.00990.27550.0789-0.1583-0.18520.58270.4348-0.6930.16870.8810.0006-0.07690.4452-0.09261.356380.970931.4686-1.2049
726.31654.46872.90035.01811.90231.40790.2569-1.07130.53041.3687-0.77390.04850.5779-0.45750.41210.48720.13590.14070.5079-0.04740.487775.141626.73-1.6661
730.5584-1.0770.48052.1403-0.52621.1851-0.0753-0.16330.8740.31370.31960.22860.0493-0.0732-0.17710.16360.04580.01490.45790.03870.887888.037513.95434.821
741.2114-0.1487-2.07315.7877-5.63789.7289-0.0029-0.2419-0.1341.0711-0.03970.2883-0.4014-0.49250.00870.57730.05250.09210.7002-0.34470.904487.638827.231710.6173
750.6042-1.4058-0.52143.28490.91346.7657-0.0687-0.3968-0.21430.4616-0.06140.5788-0.58-0.26240.07830.45170.02340.28670.5617-0.17790.458586.69916.478423.0215
762.3454-0.31770.92541.7123-0.64152.5156-0.26480.09250.02080.2564-0.3245-0.33070.25440.59480.50540.38530.0802-0.05410.3161-0.08740.819497.770510.89931.495
771.59680.17980.82821.97991.1714.8739-0.0875-0.08860.35370.0017-0.4820.0208-0.0694-0.24050.45570.31030.0689-0.1130.3971-0.01520.770698.147219.69960.7363
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 15 )A1 - 15
2X-RAY DIFFRACTION2chain 'A' and (resid 16 through 25 )A16 - 25
3X-RAY DIFFRACTION3chain 'A' and (resid 26 through 32 )A26 - 32
4X-RAY DIFFRACTION4chain 'A' and (resid 33 through 60 )A33 - 60
5X-RAY DIFFRACTION5chain 'A' and (resid 61 through 72 )A61 - 72
6X-RAY DIFFRACTION6chain 'B' and (resid 5 through 67 )B5 - 67
7X-RAY DIFFRACTION7chain 'B' and (resid 68 through 176 )B68 - 176
8X-RAY DIFFRACTION8chain 'C' and (resid 5 through 25 )C5 - 25
9X-RAY DIFFRACTION9chain 'C' and (resid 26 through 66 )C26 - 66
10X-RAY DIFFRACTION10chain 'D' and (resid 3 through 20 )D3 - 20
11X-RAY DIFFRACTION11chain 'D' and (resid 21 through 33 )D21 - 33
12X-RAY DIFFRACTION12chain 'D' and (resid 34 through 75 )D34 - 75
13X-RAY DIFFRACTION13chain 'D' and (resid 76 through 99 )D76 - 99
14X-RAY DIFFRACTION14chain 'D' and (resid 100 through 112 )D100 - 112
15X-RAY DIFFRACTION15chain 'D' and (resid 113 through 142 )D113 - 142
16X-RAY DIFFRACTION16chain 'D' and (resid 143 through 158 )D143 - 158
17X-RAY DIFFRACTION17chain 'D' and (resid 159 through 177 )D159 - 177
18X-RAY DIFFRACTION18chain 'E' and (resid 1 through 32 )E1 - 32
19X-RAY DIFFRACTION19chain 'E' and (resid 33 through 74 )E33 - 74
20X-RAY DIFFRACTION20chain 'G' and (resid 1 through 25 )G1 - 25
21X-RAY DIFFRACTION21chain 'G' and (resid 26 through 33 )G26 - 33
22X-RAY DIFFRACTION22chain 'G' and (resid 34 through 50 )G34 - 50
23X-RAY DIFFRACTION23chain 'G' and (resid 51 through 67 )G51 - 67
24X-RAY DIFFRACTION24chain 'F' and (resid 8 through 33 )F8 - 33
25X-RAY DIFFRACTION25chain 'F' and (resid 34 through 75 )F34 - 75
26X-RAY DIFFRACTION26chain 'F' and (resid 76 through 99 )F76 - 99
27X-RAY DIFFRACTION27chain 'F' and (resid 100 through 112 )F100 - 112
28X-RAY DIFFRACTION28chain 'F' and (resid 113 through 123 )F113 - 123
29X-RAY DIFFRACTION29chain 'F' and (resid 124 through 142 )F124 - 142
30X-RAY DIFFRACTION30chain 'F' and (resid 143 through 158 )F143 - 158
31X-RAY DIFFRACTION31chain 'F' and (resid 159 through 177 )F159 - 177
32X-RAY DIFFRACTION32chain 'H' and (resid 5 through 20 )H5 - 20
33X-RAY DIFFRACTION33chain 'H' and (resid 21 through 112 )H21 - 112
34X-RAY DIFFRACTION34chain 'H' and (resid 113 through 123 )H113 - 123
35X-RAY DIFFRACTION35chain 'H' and (resid 124 through 158 )H124 - 158
36X-RAY DIFFRACTION36chain 'H' and (resid 159 through 177 )H159 - 177
37X-RAY DIFFRACTION37chain 'I' and (resid 1 through 6 )I1 - 6
38X-RAY DIFFRACTION38chain 'I' and (resid 7 through 15 )I7 - 15
39X-RAY DIFFRACTION39chain 'I' and (resid 16 through 25 )I16 - 25
40X-RAY DIFFRACTION40chain 'I' and (resid 26 through 45 )I26 - 45
41X-RAY DIFFRACTION41chain 'I' and (resid 46 through 60 )I46 - 60
42X-RAY DIFFRACTION42chain 'I' and (resid 61 through 75 )I61 - 75
43X-RAY DIFFRACTION43chain 'K' and (resid 1 through 25 )K1 - 25
44X-RAY DIFFRACTION44chain 'K' and (resid 26 through 33 )K26 - 33
45X-RAY DIFFRACTION45chain 'K' and (resid 34 through 50 )K34 - 50
46X-RAY DIFFRACTION46chain 'K' and (resid 51 through 67 )K51 - 67
47X-RAY DIFFRACTION47chain 'J' and (resid 4 through 20 )J4 - 20
48X-RAY DIFFRACTION48chain 'J' and (resid 21 through 177 )J21 - 177
49X-RAY DIFFRACTION49chain 'L' and (resid 3 through 20 )L3 - 20
50X-RAY DIFFRACTION50chain 'L' and (resid 21 through 62 )L21 - 62
51X-RAY DIFFRACTION51chain 'L' and (resid 63 through 75 )L63 - 75
52X-RAY DIFFRACTION52chain 'L' and (resid 76 through 99 )L76 - 99
53X-RAY DIFFRACTION53chain 'L' and (resid 100 through 112 )L100 - 112
54X-RAY DIFFRACTION54chain 'L' and (resid 113 through 150 )L113 - 150
55X-RAY DIFFRACTION55chain 'L' and (resid 151 through 177 )L151 - 177
56X-RAY DIFFRACTION56chain 'M' and (resid 1 through 6 )M1 - 6
57X-RAY DIFFRACTION57chain 'M' and (resid 7 through 15 )M7 - 15
58X-RAY DIFFRACTION58chain 'M' and (resid 16 through 20 )M16 - 20
59X-RAY DIFFRACTION59chain 'M' and (resid 21 through 25 )M21 - 25
60X-RAY DIFFRACTION60chain 'M' and (resid 26 through 32 )M26 - 32
61X-RAY DIFFRACTION61chain 'M' and (resid 33 through 45 )M33 - 45
62X-RAY DIFFRACTION62chain 'M' and (resid 46 through 60 )M46 - 60
63X-RAY DIFFRACTION63chain 'M' and (resid 61 through 74 )M61 - 74
64X-RAY DIFFRACTION64chain 'O' and (resid 1 through 33 )O1 - 33
65X-RAY DIFFRACTION65chain 'O' and (resid 34 through 67 )O34 - 67
66X-RAY DIFFRACTION66chain 'N' and (resid 4 through 20 )N4 - 20
67X-RAY DIFFRACTION67chain 'N' and (resid 21 through 99 )N21 - 99
68X-RAY DIFFRACTION68chain 'N' and (resid 100 through 123 )N100 - 123
69X-RAY DIFFRACTION69chain 'N' and (resid 124 through 152 )N124 - 152
70X-RAY DIFFRACTION70chain 'N' and (resid 153 through 176 )N153 - 176
71X-RAY DIFFRACTION71chain 'P' and (resid 2 through 7 )P2 - 7
72X-RAY DIFFRACTION72chain 'P' and (resid 8 through 20 )P8 - 20
73X-RAY DIFFRACTION73chain 'P' and (resid 21 through 99 )P21 - 99
74X-RAY DIFFRACTION74chain 'P' and (resid 100 through 112 )P100 - 112
75X-RAY DIFFRACTION75chain 'P' and (resid 113 through 123 )P113 - 123
76X-RAY DIFFRACTION76chain 'P' and (resid 124 through 150 )P124 - 150
77X-RAY DIFFRACTION77chain 'P' and (resid 151 through 176 )P151 - 176

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