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- PDB-5jd2: SFX structure of corestreptavidin-selenobiotin complex -

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Basic information

Entry
Database: PDB / ID: 5jd2
TitleSFX structure of corestreptavidin-selenobiotin complex
ComponentsStreptavidin
KeywordsBiotin binding protein / SAD / SFX / FEL / streptavidin
Function / homology
Function and homology information


biotin binding / extracellular region
Similarity search - Function
Avidin-like / Avidin-like, conserved site / Avidin-like domain signature. / Avidin / : / Avidin/streptavidin / Avidin-like superfamily / Avidin family / Avidin-like domain profile. / Lipocalin ...Avidin-like / Avidin-like, conserved site / Avidin-like domain signature. / Avidin / : / Avidin/streptavidin / Avidin-like superfamily / Avidin family / Avidin-like domain profile. / Lipocalin / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Chem-BYY / Streptavidin
Similarity search - Component
Biological speciesStreptomyces avidinii (bacteria)
MethodX-RAY DIFFRACTION / FREE ELECTRON LASER / SAD / molecular replacement / Resolution: 1.9 Å
AuthorsDeMirci, H. / Hunter, M.S. / Boutet, S.
Funding support United States, 1items
OrganizationGrant numberCountry
Department of Energy (DOE, United States) United States
CitationJournal: Nat Commun / Year: 2016
Title: Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser.
Authors: Hunter, M.S. / Yoon, C.H. / DeMirci, H. / Sierra, R.G. / Dao, E.H. / Ahmadi, R. / Aksit, F. / Aquila, A.L. / Ciftci, H. / Guillet, S. / Hayes, M.J. / Lane, T.J. / Liang, M. / Lundstrom, U. / ...Authors: Hunter, M.S. / Yoon, C.H. / DeMirci, H. / Sierra, R.G. / Dao, E.H. / Ahmadi, R. / Aksit, F. / Aquila, A.L. / Ciftci, H. / Guillet, S. / Hayes, M.J. / Lane, T.J. / Liang, M. / Lundstrom, U. / Koglin, J.E. / Mgbam, P. / Rao, Y. / Zhang, L. / Wakatsuki, S. / Holton, J.M. / Boutet, S.
History
DepositionApr 15, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 16, 2016Provider: repository / Type: Initial release
Revision 1.1Sep 6, 2017Group: Advisory / Author supporting evidence / Derived calculations
Category: pdbx_audit_support / pdbx_struct_oper_list / pdbx_unobs_or_zero_occ_atoms
Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Nov 22, 2017Group: Refinement description / Category: software
Revision 1.3Feb 14, 2018Group: Data collection / Category: diffrn_source
Item: _diffrn_source.pdbx_synchrotron_beamline / _diffrn_source.pdbx_synchrotron_site
Revision 1.4Dec 4, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5Mar 6, 2024Group: Advisory / Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_unobs_or_zero_occ_atoms
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Streptavidin
B: Streptavidin
C: Streptavidin
D: Streptavidin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,9408
Polymers50,7754
Non-polymers1,1654
Water4,720262
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area9090 Å2
ΔGint-57 kcal/mol
Surface area18700 Å2
MethodPISA
Unit cell
Length a, b, c (Å)50.840, 98.520, 53.430
Angle α, β, γ (deg.)90.000, 112.380, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Streptavidin


Mass: 12693.756 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptomyces avidinii (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P22629
#2: Chemical
ChemComp-BYY / 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid / selenobiotin


Mass: 291.206 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H16N2O3Se
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 262 / Source method: isolated from a natural source / Formula: H2O

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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: 2.44 Å3/Da / Density % sol: 49.52 %
Crystal growTemperature: 293 K / Method: batch mode / Details: 24% PEG 1500 and 20% glycerol

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Data collection

DiffractionMean temperature: 293 K
Diffraction sourceSource: FREE ELECTRON LASER / Site: SLAC LCLS / Beamline: CXI / Wavelength: 0.97 Å
DetectorType: CS-PAD CXI-1 / Detector: PIXEL / Date: Jul 17, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97 Å / Relative weight: 1
ReflectionResolution: 1.9→32.51 Å / Num. obs: 75562 / % possible obs: 100 % / Redundancy: 1447 % / Net I/σ(I): 14

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
DMphasing
PHENIXrefinement
PDB_EXTRACT3.2data extraction
CrystFELdata reduction
CrystFELdata scaling
RefinementMethod to determine structure: SAD / Resolution: 1.9→32.506 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 19.92
RfactorNum. reflection% reflection
Rfree0.1995 1393 1.84 %
Rwork0.1651 --
obs0.1658 75562 99.99 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 103.67 Å2 / Biso mean: 34.8312 Å2 / Biso min: 20.06 Å2
Refinement stepCycle: final / Resolution: 1.9→32.506 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3554 0 63 265 3882
Biso mean--38.82 43.51 -
Num. residues----474
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0063796
X-RAY DIFFRACTIONf_angle_d1.035210
X-RAY DIFFRACTIONf_chiral_restr0.081586
X-RAY DIFFRACTIONf_plane_restr0.004654
X-RAY DIFFRACTIONf_dihedral_angle_d16.3251318
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10 / % reflection obs: 100 %

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all
1.9-1.96790.25731430.236574167559
1.9679-2.04670.22091370.207574207557
2.0467-2.13980.23181450.198674357580
2.1398-2.25260.20451360.187473747510
2.2526-2.39370.25941320.190874437575
2.3937-2.57840.23911380.188474187556
2.5784-2.83780.23291460.174974247570
2.8378-3.24810.20851360.158174047540
3.2481-4.0910.15831410.141274357576
4.091-32.51040.17191390.145774007539
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)
16.3148-1.84975.38524.5656-1.91087.4003-0.4276-0.21440.49360.2910.0916-0.146-0.9412-0.13590.37450.45510.0231-0.04260.2324-0.06360.375411.304112.58627.722
28.8213-5.33444.49457.9257-5.86434.35940.18960.31890.45420.1731-0.52940.1889-0.24211.16150.33610.3189-0.0444-0.04860.2498-0.02340.30620.76515.8277.6697
33.42651.97914.2985.45421.95.4759-0.38-0.1517-0.0592-0.0713-0.04370.2737-0.5113-0.31150.23870.3330.0205-0.02530.29590.02190.31925.369511.20121.8033
42.474-1.97671.21921.5996-1.25271.9069-0.1038-0.44410.3233-0.09670.053-0.0927-0.078-0.2502-0.00330.3096-0.0038-0.00530.24970.00540.28458.73258.23-0.5776
58.9833-4.6292-1.22674.48292.76952.3305-0.36820.54030.35830.3497-0.3166-0.06150.00390.47090.55290.32160.00460.01320.26610.06890.39923.90043.4536-0.9288
60.09260.03120.04340.54421.15472.66930.07810.07030.2438-0.53340.2377-0.31380.23990.4457-0.130.3427-0.03530.00810.27660.01580.339920.64178.1941-5.6108
74.1461-1.1706-1.47830.30260.41450.4752-0.05570.18650.0306-0.0346-0.00430.0483-0.2931-0.2449-0.2530.28780.03320.00290.30840.02860.30474.59515.4377-0.7296
84.8360.18536.68540.22810.25192.0048-0.3077-0.63771.01371.0260.1229-0.2381-0.6207-1.3250.22950.46660.10430.11920.3713-0.0130.455-5.04256.176211.8414
93.9158-5.2149-5.33538.28527.01997.32860.2249-0.27420.55840.77650.35950.1723-0.0505-0.5248-0.35590.40680.03520.06530.362-0.03430.34550.11343.494214.5497
105.63693.9387-4.56143.7179-4.76856.60480.00420.22730.1676-0.1389-0.075-0.11310.0427-0.00050.05840.26320.0059-0.01610.20920.00380.263714.08241.857-4.2147
113.34551.4819-3.36443.60141.18386.1366-0.18440.331-0.2729-0.5951-0.6611-0.22550.14880.45780.68550.2979-0.00790.01580.27960.06350.323222.7334.7454-11.6137
129.2994-4.5189-7.43692.8353.71395.947-0.09570.32240.0733-0.14910.0244-0.18470.2306-0.2309-0.10570.2572-0.0310.01870.2204-0.02880.289616.5957-4.0254-5.0953
135.2952-1.1058-1.65330.39360.71124.90810.1142-0.20710.0807-0.1041-0.3261-0.3198-0.7622-0.6953-0.04580.36510.06640.0030.247-0.02990.27927.5462.765110.1445
147.7852-2.2801-3.7142.11781.89782.2374-0.0592-1.74551.02221.70470.1917-0.29380.26810.3820.22980.6580.06880.04550.5387-0.18220.43419.96069.529517.3246
156.7023-3.6531-4.48363.83675.41858.110.1865-0.1782-0.19081.2348-0.44490.42640.7419-0.39320.27850.4018-0.01190.04240.20490.00260.251112.9399-2.33349.4021
160.0872-0.4368-0.46892.122.07432.033-0.03150.33330.45710.1707-0.0683-0.18450.60020.0650.24020.23730.02660.00540.3503-0.00320.272516.4517-7.9949-1.7777
178.6449-0.14122.91811.2631-1.76315.01771.27420.2372-1.4547-1.5981-0.20130.61692.17570.7124-0.46090.59150.1244-0.10360.3295-0.04170.426518.5524-18.3325-8.5782
182.6914-3.3284-3.79686.2867.14718.04810.04050.2237-0.20890.2838-0.27480.15740.56130.25910.15330.28520.05580.00830.2933-0.00760.276419.0227-14.29670.4535
193.6696-2.5401-2.09782.58420.33932.6470.1511-0.43410.23390.9475-0.2043-0.5437-0.3711-0.26740.11930.2967-0.0166-0.0410.27520.01160.264915.83260.780310.7327
206.32863.28940.96892.56910.85399.6497-0.01140.31440.40061.3008-0.1222-0.2425-1.82392.12720.28220.6022-0.1304-0.04930.45360.01930.45917.429812.74212.6924
214.88582.3541-2.6149.9185-4.45148.5606-0.15690.6276-0.0403-0.52610.4865-0.24230.296-0.136-0.40560.2984-0.0599-0.04490.3343-0.00890.24250.0235-10.589-13.2631
222.3981.0559-0.61844.4104-5.376.78510.2091-0.19290.2011-0.09080.29350.99220.2418-0.0375-0.43180.3235-0.0663-0.01180.327-0.02370.3604-3.1878-13.2511-4.9529
232.1651.6758-1.71598.121-0.19022.0658-0.59560.6481.3711-0.62710.24320.0116-1.20420.05560.11950.4681-0.0843-0.11810.40590.07230.33014.0152-0.2169-14.6731
242.54640.7733-4.60935.5117-3.06799.44660.15060.33370.0084-0.0441-0.0457-0.0321-0.4706-0.3957-0.17620.3468-0.0142-0.08990.2610.0020.28290.3557-1.891-8.452
254.17261.1425-3.14284.4365-4.33795.28090.1068-0.45290.10870.45470.42171.2042-0.9166-0.4084-0.54620.4496-0.0489-0.02290.45460.03870.5655-8.0849-10.45632.3868
261.16790.9669-1.9968.9167-1.88713.40930.08371.8271-0.97420.32750.3861.82240.3822-1.555-0.04940.3603-0.06050.05060.7816-0.06640.608-11.9163-5.4408-0.7166
275.7223-1.9927-6.49198.63061.45447.5002-0.15231.15470.409-0.07010.3-0.4598-0.3616-0.6491-0.02270.24030.0331-0.02010.33940.05570.2482-2.9266-0.9555-2.9498
284.86830.7843-6.22472.8576-0.85288.08610.29311.32680.4902-0.1871-0.087-0.35860.2926-0.3801-0.03040.3603-0.0024-0.00580.32240.00480.266612.8825-2.5826-12.8075
297.76544.3689-4.05664.9339-6.64269.83910.56130.89070.1491-1.8525-0.1347-1.04850.7635-0.0717-0.36180.53160.02540.09910.4008-0.01350.352617.715-11.248-14.4977
305.2429-4.8327-5.48064.77575.11475.7891-0.0621-0.38990.252-0.01850.23680.1076-0.22740.296-0.16380.25150.00830.00120.29340.00130.25160.7446-3.1033-0.3447
318.1614.95550.17538.26730.3042.4864-0.08980.32280.6252-0.22840.14161.44510.1562-1.37190.06770.31550.0399-0.01920.56620.01660.4923-12.4482-0.35793.935
329.0195-6.2616-5.38546.17756.21139.22730.1888-0.03770.1797-0.13530.17660.0099-0.16010.0545-0.40760.2140.01460.01120.22030.01960.21562.0244-4.9363.8948
332.52991.70171.00699.6675-3.64412.5534-0.50170.7556-1.0289-0.72830.47550.17490.89750.076-0.05450.4819-0.08330.0860.3963-0.07350.30089.7079-14.594-13.8006
349.45336.57774.69414.71713.51022.8009-0.13160.837-1.3194-0.63930.7277-0.07281.27431.0297-0.56990.56560.0393-0.04860.3391-0.11320.38586.7646-17.4525-11.1903
352.5145-1.8908-2.87892.33931.82983.5459-0.1431-0.23890.17760.60520.2153-0.00580.4724-0.2906-0.05360.23330.02920.00520.30950.02320.2675.3467-9.52644.9276
362.11311.2659-0.86262.98822.34098.9380.1086-0.87340.11911.0970.274-0.1587-0.244-0.433-0.30380.4810.0880.06630.4731-0.00690.35492.5147-1.254219.9237
376.40041.74352.04662.0961.02390.78240.0346-0.5713-0.13540.71590.2970.16320.5965-0.0099-0.06880.39620.06660.07290.3331-0.01120.33085.4112-7.183918.0364
380.9020.47272.64720.99831.2648.21280.0821-0.1024-0.2284-0.03130.22570.14880.28150.3792-0.35490.2384-0.03030.00450.363-0.00560.35025.1754-14.3324.5641
393.26931.50933.24714.54523.66114.43330.07710.5298-0.0643-0.1415-0.09650.0937-0.0121-0.0242-0.10940.330.02270.00220.3065-0.01940.38131.5703-15.7356-9.2768
402.6772.40651.07142.21221.36883.75490.6626-1.483-0.10181.5156-0.84342.0185-0.04840.0715-0.18940.5834-0.0720.05310.5871-0.05690.5548-4.2221-20.2259-11.4976
413.4792-0.68882.13839.3063-4.80189.87480.1709-0.1803-0.662-0.3180.04030.5991.0635-0.2705-0.11850.3658-0.0461-0.02920.224-0.00750.403312.4094-36.13299.1778
427.5569-3.6932.12065.79282.68536.1093-0.1165-0.06620.20030.8424-0.080.02340.37960.56090.40520.3345-0.04170.00460.1957-0.03350.275515.4356-28.1502-0.4995
433.7273.7232-1.78566.2353-4.7164.24490.0729-0.2197-0.0231-0.11320.0730.67570.43280.2211-0.24310.29270.04970.03470.2356-0.03560.315817.7572-33.49898.2961
442.99852.0364-0.51694.29672.16722.32720.3012-1.1128-0.48181.6336-0.2825-0.54550.7954-0.3836-0.06420.46950.00770.06430.41160.06110.366613.8002-33.763421.9597
452.454-0.3857-0.26315.0014-1.8235.82340.10910.013-0.06360.15640.11140.395-0.2278-0.0694-0.22860.30670.0479-0.01030.17350.00380.307921.3023-32.482411.4543
465.93813.245-1.16646.2916-1.65170.4185-0.01630.52660.34980.07940.04490.11610.26290.3412-0.2450.32040.00250.03280.28050.00130.311527.2583-26.36181.5266
472.81810.6353-0.93360.2821-0.04361.9697-0.07650.0503-0.4048-0.26890.06210.10150.30730.47050.10220.28880.05650.00760.19730.00220.318725.9481-31.514910.228
484.3906-0.4443-4.88030.14160.49585.35130.1880.02610.25070.2595-0.0010.53490.0699-0.0693-0.16330.33340.01330.10710.28610.04830.40858.7647-29.095621.6038
492.41663.17260.33964.843-1.00563.4404-0.2112-1.166-0.40470.26610.63540.73040.3383-0.7842-0.14240.3138-0.03440.10610.45470.11930.6625-1.4225-28.088917.1237
508.0617-1.0508-4.67682.76880.08713.6894-0.2815-0.37840.26470.04170.17090.1980.35460.12540.17790.2750.0039-0.02150.1940.0040.230119.808-24.96312.7296
513.6264-4.0053-1.65784.41882.12892.28980.12170.3631-0.20190.16230.2856-0.80990.38330.6628-0.46260.30980.0713-0.01070.3554-0.03740.361133.9805-28.87218.6176
525.55330.7029-1.63472.00460.37272.3178-0.1333-0.7512-0.2305-0.08060.0701-0.08820.11760.11220.00550.2454-0.00750.01950.19270.00130.225322.9247-20.925710.4327
533.6350.1242-3.00450.90980.14763.8262-0.03471.0229-1.1917-0.1609-0.65961.44090.7924-2.03771.22180.4512-0.1926-0.05860.4887-0.11460.58792.5373-31.32110.3271
542.62922.034-2.18085.62891.62746.2235-0.49520.43960.1059-0.38720.08950.84350.8518-1.32790.81110.3196-0.1360.0180.3339-0.06770.5155.3026-30.76965.8102
558.77046.31861.25444.62271.6216.0528-0.09-0.53261.0134-0.2951-0.16581.1942-0.2683-0.36180.39660.22050.0172-0.03230.1559-0.03060.314313.9079-19.24947.5823
563.02633.5341-0.00915.70560.13890.0223-0.3910.2989-0.1889-0.23690.4074-0.6119-0.1007-0.10810.1020.2275-0.03380.01480.34180.03790.249226.4194-13.02199.0241
575.286-2.43065.68752.4595-2.28946.2279-0.9749-0.43341.21510.52480.25580.3099-0.5282-0.25120.32840.35020.00970.0080.3075-0.00630.387427.6351-3.87628.3704
582.59181.8631.78672.396-0.21853.03280.34140.1148-0.10930.1883-0.2248-0.2047-0.03230.0852-0.04660.26240.0350.01580.2628-0.00820.233918.793-13.47164.8903
595.00592.47821.72.6062-1.68395.292-0.12760.6433-0.3471-0.5571-0.11590.56510.3053-0.18230.32790.2658-0.0345-0.00630.2977-0.01070.309810.8312-28.28583.8605
605.2799-5.91440.47287.76780.61653.8087-0.33820.6554-0.8762-0.012-0.29230.77210.06971.93090.35080.5073-0.0993-0.06720.5047-0.03980.497812.405-38.06180.5495
612.5371-3.57992.60468.33981.04639.4285-0.1674-0.31020.23310.16470.4583-0.53840.06550.0304-0.29060.24780.0117-0.02260.3587-0.07230.24927.2167-14.176128.12
628.5051-0.139-0.33542.4264.75019.7238-0.15150.61460.1050.2869-0.40340.532-1.2332-0.20520.50070.44380.0266-0.06890.3257-0.0210.370616.3638-7.211728.0105
635.7312-1.5084-5.41735.22695.0117.7578-0.1148-0.03040.43610.57360.5228-0.40350.5148-0.2637-0.39580.35040.0147-0.01850.40390.03060.281223.2409-17.52529.0404
644.55053.85232.70077.003-0.56813.79340.07211.0494-2.6235-0.0262-0.08270.3211.40230.9885-0.16010.50030.1034-0.08050.3267-0.0570.455229.383-25.266822.3277
654.0998-4.7698-2.3637.12211.11263.7665-0.607-0.67390.34280.87620.45650.00070.404-0.11550.17420.44010.0449-0.05180.3186-0.06060.300617.8609-18.72729.8496
664.63243.4203-2.96484.4725-0.30083.6837-0.80511.4016-1.14791.63880.4436-0.1615-1.8286-1.9790.20160.66280.11610.0970.6642-0.0350.47139.2705-14.275931.9544
675.027-4.4058-2.90186.72154.20872.66110.2991-1.6366-0.1807-0.19510.3945-0.2814-0.60241.5234-0.59710.37720.01560.04240.41020.05810.238215.0208-21.75728.8754
689.40664.9024-7.42247.6676-5.75698.4887-0.0889-0.4314-0.2780.0429-0.2061-0.2298-0.03120.62010.30190.24890.0338-0.04050.2495-0.00530.284330.7092-21.497417.4009
697.3328-1.4777-2.89572.12244.27899.9006-0.5330.39360.1221-0.06370.3849-0.7619-0.49580.74540.1070.3003-0.0208-0.05020.37710.02550.474335.9633-11.882713.3371
707.045-2.9394-5.64675.46512.42754.4104-0.2412-0.16270.1680.29170.1046-0.1120.014-0.12350.08690.2733-0.0172-0.0160.2734-0.00660.225820.1234-18.904219.5171
717.43824.6836-4.72129.8933-5.51013.9588-0.2794-0.4155-0.3731.07070.37070.0944-0.1328-0.3858-0.13550.44160.07660.07450.34750.01890.29488.0873-23.583528.315
726.1057-7.78125.81439.8619-7.3665.5469-0.284-0.77130.34270.7582-0.01860.0781-1.4457-0.50160.18070.35-0.0170.10390.50510.0210.36943.5289-22.644228.9021
733.8077-1.5584-0.1873.01340.58163.6552-0.2708-0.5671-0.03470.35790.10930.2047-0.05820.48590.19370.2896-0.02520.02180.28430.01980.211614.4947-17.404518.2121
746.3096-1.2162-1.74322.1949-1.53314.9544-0.0292-0.32741.18290.54190.0667-0.582-0.91330.35630.00580.38330.0049-0.08750.3698-0.090.536530.7414-7.550521.0874
754.67874.70784.35915.04764.89764.9403-0.85980.82890.3544-0.07730.7223-0.0589-0.61430.97890.17460.3376-0.0255-0.02540.2647-0.0050.329823.3454-8.549518.7842
767.06597.89164.97138.9195.6446.77870.0073-0.34560.27760.1059-0.00060.4783-0.01810.00990.06350.24130.02780.06070.23530.02640.28548.2529-16.560116.1864
775.0347-4.81525.68694.9876-5.4786.39360.00220.3436-1.283-1.08680.72611.14510.5137-0.8416-0.68210.3721-0.0397-0.02180.41240.07010.5484-3.5703-22.94229.9798
787.6488-2.2367.88932.8168-1.77218.23430.18550.085-0.42820.18990.51440.7667-0.173-0.118-0.68470.2735-0.02880.03630.28260.09050.41640.4784-16.6119.7203
796.40923.98835.32234.48653.55444.4213-0.0113-0.540.58120.079-0.38870.2319-0.4468-0.58570.34450.28760.0120.0440.3248-0.01580.22414.9776-8.913918.3784
804.69612.52714.02612.59471.50373.82130.2669-1.12071.34290.3055-0.5108-0.18210.6737-0.15140.13980.3328-0.03040.02030.4251-0.07650.359324.2292-5.422430.0633
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 16:22)A16 - 22
2X-RAY DIFFRACTION2(chain A and resid 23:28)A23 - 28
3X-RAY DIFFRACTION3(chain A and resid 29:36)A29 - 36
4X-RAY DIFFRACTION4(chain A and resid 37:43)A37 - 43
5X-RAY DIFFRACTION5(chain A and resid 44:50)A44 - 50
6X-RAY DIFFRACTION6(chain A and resid 51:54)A51 - 54
7X-RAY DIFFRACTION7(chain A and resid 55:60)A55 - 60
8X-RAY DIFFRACTION8(chain A and resid 61:66)A61 - 66
9X-RAY DIFFRACTION9(chain A and resid 67:73)A67 - 73
10X-RAY DIFFRACTION10(chain A and resid 74:81)A74 - 81
11X-RAY DIFFRACTION11(chain A and resid 82:85)A82 - 85
12X-RAY DIFFRACTION12(chain A and resid 86:91)A86 - 91
13X-RAY DIFFRACTION13(chain A and resid 92:97)A92 - 97
14X-RAY DIFFRACTION14(chain A and resid 98:104)A98 - 104
15X-RAY DIFFRACTION15(chain A and resid 105:108)A105 - 108
16X-RAY DIFFRACTION16(chain A and resid 109:113)A109 - 113
17X-RAY DIFFRACTION17(chain A and resid 114:119)A114 - 119
18X-RAY DIFFRACTION18(chain A and resid 120:125)A120 - 125
19X-RAY DIFFRACTION19(chain A and resid 126:130)A126 - 130
20X-RAY DIFFRACTION20(chain A and resid 131:134)A131 - 134
21X-RAY DIFFRACTION21(chain B and resid 16:22)B16 - 22
22X-RAY DIFFRACTION22(chain B and resid 23:30)B23 - 30
23X-RAY DIFFRACTION23(chain B and resid 31:36)B31 - 36
24X-RAY DIFFRACTION24(chain B and resid 37:43)B37 - 43
25X-RAY DIFFRACTION25(chain B and resid 44:49)B44 - 49
26X-RAY DIFFRACTION26(chain B and resid 50:53)B50 - 53
27X-RAY DIFFRACTION27(chain B and resid 54:57)B54 - 57
28X-RAY DIFFRACTION28(chain B and resid 58:65)B58 - 65
29X-RAY DIFFRACTION29(chain B and resid 66:72)B66 - 72
30X-RAY DIFFRACTION30(chain B and resid 73:80)B73 - 80
31X-RAY DIFFRACTION31(chain B and resid 81:85)B81 - 85
32X-RAY DIFFRACTION32(chain B and resid 86:94)B86 - 94
33X-RAY DIFFRACTION33(chain B and resid 95:100)B95 - 100
34X-RAY DIFFRACTION34(chain B and resid 101:105)B101 - 105
35X-RAY DIFFRACTION35(chain B and resid 106:111)B106 - 111
36X-RAY DIFFRACTION36(chain B and resid 112:118)B112 - 118
37X-RAY DIFFRACTION37(chain B and resid 119:123)B119 - 123
38X-RAY DIFFRACTION38(chain B and resid 124:128)B124 - 128
39X-RAY DIFFRACTION39(chain B and resid 129:132)B129 - 132
40X-RAY DIFFRACTION40(chain B and resid 133:134)B133 - 134
41X-RAY DIFFRACTION41(chain C and resid 16:22)C16 - 22
42X-RAY DIFFRACTION42(chain C and resid 23:26)C23 - 26
43X-RAY DIFFRACTION43(chain C and resid 27:31)C27 - 31
44X-RAY DIFFRACTION44(chain C and resid 32:39)C32 - 39
45X-RAY DIFFRACTION45(chain C and resid 40:44)C40 - 44
46X-RAY DIFFRACTION46(chain C and resid 45:51)C45 - 51
47X-RAY DIFFRACTION47(chain C and resid 52:56)C52 - 56
48X-RAY DIFFRACTION48(chain C and resid 57:65)C57 - 65
49X-RAY DIFFRACTION49(chain C and resid 66:72)C66 - 72
50X-RAY DIFFRACTION50(chain C and resid 73:79)C73 - 79
51X-RAY DIFFRACTION51(chain C and resid 80:84)C80 - 84
52X-RAY DIFFRACTION52(chain C and resid 85:94)C85 - 94
53X-RAY DIFFRACTION53(chain C and resid 95:100)C95 - 100
54X-RAY DIFFRACTION54(chain C and resid 101:105)C101 - 105
55X-RAY DIFFRACTION55(chain C and resid 106:109)C106 - 109
56X-RAY DIFFRACTION56(chain C and resid 110:115)C110 - 115
57X-RAY DIFFRACTION57(chain C and resid 116:120)C116 - 120
58X-RAY DIFFRACTION58(chain C and resid 121:127)C121 - 127
59X-RAY DIFFRACTION59(chain C and resid 128:131)C128 - 131
60X-RAY DIFFRACTION60(chain C and resid 132:135)C132 - 135
61X-RAY DIFFRACTION61(chain D and resid 16:21)D16 - 21
62X-RAY DIFFRACTION62(chain D and resid 22:27)D22 - 27
63X-RAY DIFFRACTION63(chain D and resid 28:33)D28 - 33
64X-RAY DIFFRACTION64(chain D and resid 34:39)D34 - 39
65X-RAY DIFFRACTION65(chain D and resid 40:44)D40 - 44
66X-RAY DIFFRACTION66(chain D and resid 45:52)D45 - 52
67X-RAY DIFFRACTION67(chain D and resid 53:57)D53 - 57
68X-RAY DIFFRACTION68(chain D and resid 58:64)D58 - 64
69X-RAY DIFFRACTION69(chain D and resid 65:71)D65 - 71
70X-RAY DIFFRACTION70(chain D and resid 72:77)D72 - 77
71X-RAY DIFFRACTION71(chain D and resid 78:82)D78 - 82
72X-RAY DIFFRACTION72(chain D and resid 83:87)D83 - 87
73X-RAY DIFFRACTION73(chain D and resid 88:94)D88 - 94
74X-RAY DIFFRACTION74(chain D and resid 95:101)D95 - 101
75X-RAY DIFFRACTION75(chain D and resid 102:107)D102 - 107
76X-RAY DIFFRACTION76(chain D and resid 108:113)D108 - 113
77X-RAY DIFFRACTION77(chain D and resid 114:118)D114 - 118
78X-RAY DIFFRACTION78(chain D and resid 119:123)D119 - 123
79X-RAY DIFFRACTION79(chain D and resid 124:130)D124 - 130
80X-RAY DIFFRACTION80(chain D and resid 131:134)D131 - 134

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