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- PDB-8u7j: Crystal Structure of Staphylococcus aureus PLP synthase complex -

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Basic information

Entry
Database: PDB / ID: 8u7j
TitleCrystal Structure of Staphylococcus aureus PLP synthase complex
Components
  • Pyridoxal 5'-phosphate synthase subunit PdxS
  • Pyridoxal 5'-phosphate synthase subunit PdxT
KeywordsBIOSYNTHETIC PROTEIN / PLP Synthase complex / Pdx1-Pdx2 / Staphylococcus aureus
Function / homology
Function and homology information


pyridoxal 5'-phosphate synthase (glutamine hydrolysing) / pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity / pyridoxal phosphate biosynthetic process / glutamine catabolic process / glutaminase / glutaminase activity
Similarity search - Function
Pyridoxal 5'-phosphate synthase subunit PdxT/SNO / PdxT/SNO family, conserved site / SNO glutamine amidotransferase family / PdxT/SNO family family signature. / PdxT/SNO family profile. / Pyridoxal 5'-phosphate synthase subunit PdxS/SNZ / PdxS/SNZ N-terminal domain / SOR/SNZ family / PdxS/SNZ family signature. / PdxS/SNZ family profile. ...Pyridoxal 5'-phosphate synthase subunit PdxT/SNO / PdxT/SNO family, conserved site / SNO glutamine amidotransferase family / PdxT/SNO family family signature. / PdxT/SNO family profile. / Pyridoxal 5'-phosphate synthase subunit PdxS/SNZ / PdxS/SNZ N-terminal domain / SOR/SNZ family / PdxS/SNZ family signature. / PdxS/SNZ family profile. / Ribulose-phosphate binding barrel / Class I glutamine amidotransferase-like / Aldolase-type TIM barrel
Similarity search - Domain/homology
GLUTAMINE / PHOSPHATE ION / Pyridoxal 5'-phosphate synthase subunit PdxS / Pyridoxal 5'-phosphate synthase subunit PdxT
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.02 Å
AuthorsBarra, A.L.C. / Brognaro, H. / Betzel, C. / Nascimento, A.S.
Funding support Brazil, Germany, 9items
OrganizationGrant numberCountry
Sao Paulo Research Foundation (FAPESP)2015/26722-8 Brazil
Sao Paulo Research Foundation (FAPESP)2015/13684-0 Brazil
Sao Paulo Research Foundation (FAPESP)2020/03983-9 Brazil
Sao Paulo Research Foundation (FAPESP)2019/26428-3 Brazil
Sao Paulo Research Foundation (FAPESP)2019/20219-3 Brazil
Sao Paulo Research Foundation (FAPESP)2019/00899-0 Brazil
Sao Paulo Research Foundation (FAPESP)2018/21213-6 Brazil
Brazilian National Council for Scientific and Technological Development (CNPq)302992/2021-9 Brazil
German Research Foundation (DFG)390715994 Germany
CitationJournal: J.Biol.Chem. / Year: 2024
Title: Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
Authors: Barra, A.L.C. / Ullah, N. / Brognaro, H. / Gutierrez, R.F. / Wrenger, C. / Betzel, C. / Nascimento, A.S.
History
DepositionSep 15, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 24, 2024Provider: repository / Type: Initial release
Revision 1.1Jul 31, 2024Group: Database references / Category: citation
Item: _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Pyridoxal 5'-phosphate synthase subunit PdxS
T: Pyridoxal 5'-phosphate synthase subunit PdxT
G: Pyridoxal 5'-phosphate synthase subunit PdxS
B: Pyridoxal 5'-phosphate synthase subunit PdxS
L: Pyridoxal 5'-phosphate synthase subunit PdxS
K: Pyridoxal 5'-phosphate synthase subunit PdxS
F: Pyridoxal 5'-phosphate synthase subunit PdxS
J: Pyridoxal 5'-phosphate synthase subunit PdxS
C: Pyridoxal 5'-phosphate synthase subunit PdxS
I: Pyridoxal 5'-phosphate synthase subunit PdxS
H: Pyridoxal 5'-phosphate synthase subunit PdxS
D: Pyridoxal 5'-phosphate synthase subunit PdxS
E: Pyridoxal 5'-phosphate synthase subunit PdxS
N: Pyridoxal 5'-phosphate synthase subunit PdxT
S: Pyridoxal 5'-phosphate synthase subunit PdxT
X: Pyridoxal 5'-phosphate synthase subunit PdxT
R: Pyridoxal 5'-phosphate synthase subunit PdxT
W: Pyridoxal 5'-phosphate synthase subunit PdxT
O: Pyridoxal 5'-phosphate synthase subunit PdxT
M: Pyridoxal 5'-phosphate synthase subunit PdxT
V: Pyridoxal 5'-phosphate synthase subunit PdxT
U: Pyridoxal 5'-phosphate synthase subunit PdxT
P: Pyridoxal 5'-phosphate synthase subunit PdxT
Q: Pyridoxal 5'-phosphate synthase subunit PdxT
hetero molecules


Theoretical massNumber of molelcules
Total (without water)637,91948
Polymers635,02524
Non-polymers2,89424
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)101.235, 132.374, 142.097
Angle α, β, γ (deg.)106.49, 109.51, 105.56
Int Tables number1
Space group name H-MP1
Symmetry operation#1: x,y,z

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Components

#1: Protein
Pyridoxal 5'-phosphate synthase subunit PdxS


Mass: 32158.863 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: pdxS / Production host: Escherichia coli (E. coli) / References: UniProt: A7WYT1
#2: Protein
Pyridoxal 5'-phosphate synthase subunit PdxT


Mass: 20759.867 Da / Num. of mol.: 12 / Mutation: H165N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: pdxT / Production host: Escherichia coli (E. coli) / References: UniProt: A7WYT2
#3: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: PO4
#4: Chemical
ChemComp-GLN / GLUTAMINE


Type: L-peptide linking / Mass: 146.144 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C5H10N2O3
#5: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
Has ligand of interestN

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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: 2.65 Å3/Da / Density % sol: 53.58 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 5% PEG4000, 0.2 M triammonium citrate pH 7, 10 mM L-glutamine

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Data collection

DiffractionMean temperature: 173 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: PETRA III, DESY / Beamline: P11 / Wavelength: 1.0332 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Aug 15, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.019→116.239 Å / Num. obs: 71124 / % possible obs: 59.3 % / Redundancy: 3.8 % / Biso Wilson estimate: 69.51 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.127 / Rpim(I) all: 0.075 / Net I/σ(I): 4.7
Reflection shellResolution: 3.019→3.389 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.561 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3556 / CC1/2: 0.76 / Rpim(I) all: 0.329 / % possible all: 10.1

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Processing

Software
NameVersionClassification
PHENIX(dev_4788: ???)refinement
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.02→54.83 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.97 / Phase error: 27.03 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2475 3644 5.13 %
Rwork0.1997 --
obs0.2022 71088 59.24 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.02→54.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms39537 0 180 0 39717
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00240209
X-RAY DIFFRACTIONf_angle_d0.45454524
X-RAY DIFFRACTIONf_dihedral_angle_d4.7925796
X-RAY DIFFRACTIONf_chiral_restr0.0426492
X-RAY DIFFRACTIONf_plane_restr0.0037175
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.02-3.060.178510.359425X-RAY DIFFRACTION1
3.06-3.10.440260.338180X-RAY DIFFRACTION2
3.1-3.140.798980.3379212X-RAY DIFFRACTION5
3.14-3.190.3736180.3248354X-RAY DIFFRACTION8
3.19-3.240.2019180.3456507X-RAY DIFFRACTION11
3.24-3.290.3737420.3167701X-RAY DIFFRACTION16
3.29-3.350.3833450.2866828X-RAY DIFFRACTION19
3.35-3.410.284600.27051074X-RAY DIFFRACTION24
3.41-3.480.3485680.2611325X-RAY DIFFRACTION30
3.48-3.550.3058980.2451761X-RAY DIFFRACTION40
3.55-3.630.28531180.24782353X-RAY DIFFRACTION53
3.63-3.710.35951270.25222157X-RAY DIFFRACTION50
3.71-3.80.30371900.23853749X-RAY DIFFRACTION85
3.8-3.910.2832140.23184010X-RAY DIFFRACTION91
3.91-4.020.24092380.20524016X-RAY DIFFRACTION92
4.02-4.150.24622250.20273980X-RAY DIFFRACTION91
4.15-4.30.24822090.19073851X-RAY DIFFRACTION89
4.3-4.470.24471870.16623533X-RAY DIFFRACTION80
4.47-4.670.23262260.1623942X-RAY DIFFRACTION91
4.67-4.920.22662200.15584276X-RAY DIFFRACTION97
4.92-5.230.21112080.17494242X-RAY DIFFRACTION97
5.23-5.630.22042080.19484241X-RAY DIFFRACTION96
5.63-6.20.24222290.2214175X-RAY DIFFRACTION95
6.2-7.090.27451960.22344150X-RAY DIFFRACTION94
7.09-8.930.20422210.1843686X-RAY DIFFRACTION85
8.93-54.830.23272640.18784216X-RAY DIFFRACTION97
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
11.85241.11362.2193.68991.73952.95080.3649-0.603-0.06930.5027-0.23470.5492-0.10820.0271-0.13030.30180.07960.14790.65740.10780.5336-72.6897175.4959290.9089
22.6887-0.16440.47212.3838-2.01524.6723-0.1442-0.12280.67190.14880.12990.2151-0.4489-0.7090.0640.09630.08260.06870.4114-0.01810.6539-92.7608174.5099282.6909
32.945-0.8688-0.65821.9582-1.60252.49670.0828-0.24210.08870.15190.00950.4869-0.4715-0.4757-0.03120.27580.1521-0.00170.2061-0.08240.4532-87.1798181.1943274.7933
40.1689-0.20360.14380.6133-0.22810.271-0.06230.0583-0.10250.02960.0568-0.0154-0.00270.02370.086-0.01910.324-0.07330.31680.02460.3936-72.8233174.8029273.9183
50.2622-0.0949-0.02260.04370.05660.30480.07890.00590.13890.06060.14410.09330.0135-0.03330.1734-0.2220.43970.13890.3758-0.02780.3907-71.1453158.1224279.2787
63.5527-0.6774-1.30771.73181.06681.594-0.07840.10730.2889-0.0530.07680.443-0.2672-0.53590.09790.14410.20380.07650.35070.08070.6954-93.1586162.655282.0976
75.99791.1358-1.26682.93281.00570.98120.1342-0.08620.261-0.2766-0.00450.5963-0.2763-0.8215-0.09530.19390.1723-0.03180.62230.00250.7237-98.5488155.8963286.5079
83.9366-3.9313-1.17424.33311.30593.83820.0388-0.60760.51890.14780.26770.094-0.4041-0.2002-0.21020.1841-0.052-0.04450.4055-0.06390.4416-28.077184.2365280.5895
91.2635-0.6521.11561.9375-0.37041.4741-0.13370.08820.47330.13450.0521-0.302-0.19090.38690.06440.2501-0.1184-0.08630.5179-0.22460.4393-16.7872178.4639282.7026
102.99051.60641.14911.55130.32012.4960.3599-0.8238-0.27580.3119-0.43010.0088-0.2545-0.19950.09570.3194-0.0449-0.14150.9477-0.21780.5189-23.7416171.5512296.0804
113.8831-0.53582.19980.63830.80343.41810.3584-0.96950.22860.9228-0.5371-0.5586-0.108-0.24860.15610.56-0.3352-0.13330.7611-0.09980.5597-21.5179.5466300.7343
126.4956-2.41390.59551.0932-0.97142.89810.4907-0.06450.58690.1862-0.36920.8333-0.2809-0.7816-0.10220.29370.07210.04320.7155-0.06430.6711-29.9033184.4466291.3473
137.0336-0.3518-0.78216.61050.01750.47470.4365-0.86220.42720.5079-0.028-0.2226-0.18450.0791-0.34830.1991-0.04670.01270.8584-0.08190.4816-37.2387167.2815288.3777
143.65420.6785-2.08255.09790.65132.3807-0.2224-0.199-0.31660.361-0.1996-0.76930.05350.63140.22110.0902-0.0533-0.06720.3885-0.07920.2556-21.2109157.2042278.0016
155.68841.12280.63193.38510.03360.1763-0.0084-0.0595-0.28310.18190.0821-0.5624-0.00560.2814-0.22220.00470.0073-0.04290.50890.05190.2743-27.7117148.1645281.563
160.315-0.14180.03420.1083-0.07930.0537-0.0954-0.05430.05550.03480.0481-0.0795-0.00530.0654-0.1361-0.47750.14650.01670.4596-0.1080.3437-41.6239157.2493274.9216
170.6041-0.0530.070.51220.26380.1545-0.0907-0.0928-0.0602-0.0097-0.13010.0841-0.0652-0.0165-0.148-0.04280.0376-0.03350.3544-0.03740.4607-49.2936169.4855271.7126
185.84771.21770.69112.5588-0.83383.822-0.40090.042-0.296-0.16250.0006-0.32360.00740.31660.20610.0765-0.13560.01490.3853-0.08810.3294-22.7288162.802267.6487
198.9292-3.18880.18362.3205-0.7582.37080.21950.2631-0.5933-0.1411-0.1626-0.03480.23590.30380.09610.07960.0551-0.06730.5172-0.03970.6348-17.3087168.9588262.4502
202.72780.05891.44871.53820.82516.0361-0.15590.07631.0855-0.06260.0789-0.0424-0.67180.50010.02870.2743-0.10580.18410.6421-0.0250.9035-55.4621200.9915247.334
217.50692.0285-0.20815.5664-0.29858.20520.24370.55250.2327-0.27890.33630.6022-0.432-0.7499-0.45920.3186-0.0578-0.05040.17730.01830.2477-76.8578199.5577250.8579
222.33840.48291.57494.32764.93456.7621-0.0132-0.11730.3829-0.5621-0.33930.4852-0.8267-0.44020.34490.48630.1130.02540.29290.03690.1655-75.9977196.2451239.6762
232.6357-0.91091.38722.259-2.09313.02320.04310.06310.01340.0080.1785-0.0122-0.3198-0.3254-0.21750.30970.0161-0.00430.2558-0.04290.1698-62.6792187.8654239.2488
240.32770.22270.31951.0314-0.37750.87640.12760.1165-0.064-0.09690.0039-0.0045-0.16110.281-0.0630.13520.0004-0.01790.4313-0.07240.4165-56.7833181.3751254.4907
252.8892-1.3357-1.63182.6568-0.15932.50160.1577-0.25030.2389-0.02570.14320.1401-0.251-0.4409-0.28630.16990.1533-0.07960.3464-0.05920.4506-76.6121192.208263.1693
267.9957-0.41991.3222.79560.13951.8019-0.0126-0.4175-0.63870.10750.06040.31290.1208-0.2863-0.07650.18370.1222-0.11020.59960.10330.6245-62.3088120.496294.2313
272.66050.4578-0.17742.45650.33722.3587-0.1187-0.011-0.62120.3256-0.0054-0.70260.78260.93280.09670.30090.2368-0.07260.44210.08310.656-41.2182120.3465288.9086
283.3458-1.27182.78343.38122.50047.37410.339-0.1057-0.49740.16640.1693-0.51930.57060.9108-0.36970.22080.0954-0.05030.39650.00740.5961-45.7727112.8931281.0678
291.05020.0461-0.21050.4579-0.32230.8669-0.00280.0250.13630.04660.0777-0.0252-0.0269-0.0963-0.076-0.05260.1735-0.03330.3356-0.09780.4536-57.6154115.8696275.9396
300.1390.03630.05290.18350.10280.08060.03860.0318-0.055-0.0187-0.1073-0.05480.02730.0988-0.0013-0.35960.4455-0.15570.31730.0060.4347-62.0127133.3669280.5039
311.63480.96620.96432.3169-0.0511.5476-0.15990.1866-0.3944-0.14010.1248-0.67510.27590.6044-0.130.07960.23810.07070.61650.03120.533-38.8651134.4551288.5927
321.4117-0.6841-0.46762.3112-0.35181.64760.08990.1687-0.6485-0.1875-0.00530.12620.34640.015-0.06030.53330.1704-0.01230.1106-0.10020.5649-60.591991.5069255.3498
332.1603-2.5855-0.20266.246-4.48347.14420.32380.0206-0.195-0.4075-0.2941-0.47010.61970.2089-0.00770.4031-0.0703-0.04550.2593-0.15120.494-51.626494.5076246.342
341.8268-0.5838-1.08180.6778-0.16772.0667-0.4630.0759-0.08580.10270.51790.3150.4562-0.0393-0.04880.38420.0617-0.0370.16640.00340.5064-64.6869102.6788243.2341
350.5832-0.3870.8530.9384-0.29791.31910.0594-0.0085-0.0204-0.09420.17840.24390.21080.0852-0.22440.24480.1085-0.04720.3672-0.03890.593-72.6127110.5716256.8199
362.6313-1.40652.3693.9805-1.07353.30980.14940.3074-0.1308-0.2187-0.0235-0.26670.41350.4901-0.09260.17350.0828-0.04230.2706-0.09580.4164-54.5276100.5734266.0885
372.9093-2.92990.67424.59211.97344.43730.1889-0.05660.2388-0.20110.0841-0.7173-0.01060.3578-0.2770.3940.21130.11220.3597-0.06590.5677-53.7459100.8072275.7653
380.81030.2319-1.67640.7422-1.02144.2215-0.2134-0.4812-0.13380.26310.10170.15770.2775-0.20760.06110.28540.05060.090.95540.00560.9727-96.1373127.693286.3607
393.4527-0.78990.43054.8377-0.65012.6992-0.34290.12910.51680.14370.12970.2783-0.4336-0.54390.22670.18960.0877-0.05960.55820.02390.6337-111.1438136.258273.2038
404.43421.7969-0.64945.09170.53671.77080.3230.01050.72280.01690.21790.5098-0.1078-1.0407-0.49860.23480.0753-0.00520.65990.00830.5859-105.081145.7585276.5883
410.4291-0.3224-0.18580.27670.1140.1146-0.0210.0428-0.11430.0041-0.08390.18960.0315-0.0076-0.0573-0.20170.22520.12150.44170.06120.6842-90.2479140.8132277.2372
420.45330.1524-0.03850.22220.06810.3352-0.08280.10380.0945-0.03150.00970.2429-0.0262-0.17560.0024-0.20590.08190.11550.52170.09150.6536-86.2538126.33268.047
431.15090.4519-0.60580.66590.42461.2165-0.15320.12890.0658-0.0495-0.02740.4547-0.0336-0.40490.0870.0443-0.03510.06440.72940.03290.6933-108.234129.699263.771
445.4062-2.42812.78562.78051.75976.97490.17310.61760.6355-0.3854-0.22710.7406-0.3125-0.68820.05950.3517-0.05570.02990.82030.28690.9637-112.8912122.8827258.6405
452.36331.43411.25362.2394-0.01844.2767-0.04010.5487-0.5498-0.4236-0.10490.09160.69050.47450.11270.62430.11140.03550.3594-0.17190.3783-50.4239103.5516210.6082
466.06790.2559-1.17838.4688-0.72382.11880.2475-0.2324-0.6082-0.41930.1443-0.78220.43030.5832-0.44230.49590.0059-0.00270.372-0.09550.3301-40.0197111.3015212.1251
472.93080.5363-0.07732.5881-0.68721.4588-0.24770.4087-0.2091-0.1660.3310.0365-0.2601-0.0978-0.09570.1534-0.0136-0.00430.3536-0.08980.3156-52.8664120.3572211.2064
481.33180.0869-0.13951.3225-0.46772.169-0.1099-0.02280.1527-0.0996-0.0454-0.05020.2911-0.19710.07660.2165-0.0255-0.12830.2523-0.1340.4791-66.8449115.4414220.6542
493.1502-0.7809-2.03893.2066-0.37074.4433-0.18340.3602-0.50270.462-0.1369-0.50910.21450.60730.34110.24770.0755-0.11190.3102-0.10030.4213-51.111199.755225.4624
504.4138-3.4971.06033.9569-1.38844.5721-0.388-0.475-0.01270.18840.3376-0.63780.34910.41430.07430.42870.24080.01070.3698-0.22610.5253-53.841692.1784230.8821
518.51851.5807-1.31943.7335-4.1854.7183-0.44761.4622-0.264-1.5182-0.1684-0.54850.3910.31060.56250.94330.17010.14910.5954-0.00940.4753-62.4611179.0522199.1671
525.55481.66190.08043.811.19533.0330.00430.52170.4412-0.316-0.43090.591-0.529-0.6760.41710.59510.1072-0.29580.4178-0.08450.2918-79.7893186.8127209.7418
533.90781.40970.88668.346-0.56940.85840.2195-0.0646-0.1389-0.32560.25940.5883-0.4902-0.5688-0.37640.77470.0963-0.20590.535-0.06940.2326-83.4762176.1593206.4873
543.98560.47111.53462.11691.10931.3075-0.27140.27780.0755-0.36360.08630.2247-0.3430.00870.14240.29690.0285-0.09530.3666-0.08820.2521-70.7038167.0896207.9877
550.3511-0.1363-0.65821.65640.88451.4772-0.06750.0603-0.156-0.1313-0.1610.2791-0.11870.00210.21860.27010.0404-0.12480.3661-0.0240.4225-57.9328171.7808220.5022
562.255-0.9073-0.0421.40210.03110.00370.03570.1660.2253-0.40840.0629-0.2083-0.0847-0.0765-0.08980.44260.0750.08350.30650.07440.3715-57.8909175.7143214.0741
572.9282-0.01311.15056.16050.34396.3486-0.02060.18780.40180.0054-0.32250.7587-0.3291-0.48880.29690.25580.0805-0.08420.2389-0.0240.2429-74.0108188.9702219.8381
585.8665-6.35411.10558.67321.78267.97580.21420.09640.0693-0.9642-0.12640.7114-0.098-0.4714-0.13980.53730.0591-0.02860.19160.07090.3646-71.8968197.0722224.789
592.31131.08390.97042.4595-0.28321.494-0.1360.7947-0.1715-0.8359-0.0502-0.12260.09270.12350.08780.56-0.03560.30670.7067-0.13850.5074-35.2907154.6119196.5806
600.8022.071-0.01385.3465-0.17594.0957-0.27990.2795-0.5194-0.1353-0.058-1.37620.17490.82970.28350.2692-0.09340.08490.5942-0.12660.5932-24.3548137.8888205.136
613.5141-1.02451.5534.01344.29438.2161-0.01170.124-0.4921-0.2573-0.2591-0.2850.17480.92430.25820.3173-0.15410.19550.5006-0.14810.5589-22.0768146.5134212.7914
622.68340.32590.48431.1415-0.01820.4270.09230.226-0.0476-0.01740.20030.016-0.2953-0.022-0.23380.1621-0.09480.09130.6353-0.17560.3623-35.5957154.5314213.6069
631.7366-0.06360.35561.9354-0.55721.51150.0560.16890.1919-0.0636-0.0594-0.14960.22130.00760.01530.16430.0237-0.01160.3401-0.12650.2909-50.2014146.1283208.5738
643.08920.4276-1.26245.80510.44641.05790.09680.1611-0.4184-0.25490.0596-0.90670.23030.5139-0.15250.3742-0.00980.06570.48-0.23310.5338-34.5217127.9089204.5756
652.3640.70590.7225.74630.38091.5035-0.0681-0.0151-0.196-0.72680.1732-0.7134-0.80720.6028-0.14120.4843-0.33750.11830.6115-0.10120.3538-23.6343184.1221239.502
660.90611.9874-1.12894.3583-2.57282.66670.0643-0.1383-0.17510.0243-0.0265-0.6622-0.14350.69330.05310.2803-0.28380.10980.7227-0.29830.6564-12.547165.734236.2094
673.6328-0.6129-0.58941.5997-2.03883.7896-0.28460.3746-0.2109-0.22630.12-0.5542-0.15340.19070.12790.2265-0.3180.07730.69-0.25230.3941-15.6914164.7364247.5076
681.3594-0.16581.06110.4142-0.33721.04760.06890.15160.11230.1263-0.17150.3993-0.14180.18070.03860.0573-0.1070.09720.4682-0.12850.3302-30.1691170.871247.9612
691.1859-0.7602-0.31630.66520.0931.0478-0.2397-0.0499-0.0283-0.20350.3171-0.1936-0.23050.1408-0.03890.1006-0.10170.04090.5256-0.12850.4161-37.459170.6437231.5294
703.1006-0.6948-1.02112.52081.55393.61870.1585-0.0903-0.0824-0.26630.1391-0.37850.11661.1566-0.2140.3721-0.10030.12450.786-0.09560.3187-16.9035161.0534224.3756
714.59420.3575-0.37733.49960.92814.30060.3650.3615-0.72-0.80660.17840.40661.0788-0.0733-0.5181.44570.1877-0.43040.9549-0.01640.5757-86.6238131.624194.4913
723.2476-0.5007-0.28071.57110.03810.95920.00260.26280.0304-0.13910.05320.4264-0.2079-0.92850.07690.40490.0262-0.45590.87110.03590.7657-98.4815148.8655200.2504
733.5031-0.1089-1.77441.7617-1.52073.8368-0.06010.0810.4121-0.62850.1490.6214-0.0575-0.73610.07670.3824-0.0372-0.32050.60460.03030.7721-101.6625140.8981208.3064
741.09820.08370.09990.30360.0070.0041-0.01140.2-0.1285-0.05440.20270.09410.1234-0.31110.08190.3279-0.1789-0.33210.6391-0.00930.6458-88.3423133.1397211.3716
752.1393-0.8962-0.38792.7292-0.28080.9355-0.0863-0.39820.091-0.48220.32760.27760.1164-0.1618-0.18250.22410.0076-0.15720.39180.01430.342-73.2343141.2387207.4083
764.1984-0.01940.44541.9424-0.77251.6404-0.12910.15390.5471-0.26140.19320.4808-0.1975-0.59510.11950.3893-0.0638-0.3830.7255-0.06410.5296-88.3073158.8708200.0289
771.56781.389-2.50524.0037-1.47345.6078-0.15730.0681-1.29670.1152-0.2572-0.06080.9344-1.03990.36850.7773-0.489-0.32811.0591-0.02331.6016-103.0799105.4748238.1036
783.1932-0.4454-0.00853.62952.41942.8324-0.1002-0.11720.2077-0.2351-0.13080.6743-0.1532-0.79470.37920.2895-0.191-0.29420.94150.11860.8461-114.1153123.1957231.7165
793.5386-0.99441.72981.13271.02573.5138-0.31990.3435-0.1395-0.5097-0.06430.70560.0396-0.51040.220.3068-0.2469-0.25030.7904-0.00210.7147-112.0094125.4417243.5134
800.884-0.2162-0.56450.2130.12290.36150.13660.00310.1674-0.0572-0.04330.3370.0954-0.4640.15720.155-0.1087-0.26670.67380.08050.7751-95.3131120.7748240.3138
812.6379-1.50530.91550.9005-0.33061.3346-0.1093-0.22750.1638-0.18270.19130.17020.2823-0.4187-0.13690.2088-0.0579-0.08170.48290.07390.5161-84.4554113.2168234.1108
820.8020.30821.02080.9027-0.01641.5047-0.11780.1070.424-0.27520.1080.6371-0.0259-0.67850.12980.3108-0.2185-0.24031.07710.03720.9389-106.4867126.5652220.1178
834.06860.39920.79350.6914-0.41520.54460.1123-0.19520.10430.33560.1197-0.4982-0.15180.5672-0.14340.71570.029-0.38330.6322-0.28590.5552-54.9663204.5015267.7962
841.81460.71540.9831.19290.111.79930.1054-0.22050.34280.06910.0763-0.0724-0.20040.0123-0.05990.8297-0.0467-0.07120.3563-0.2550.6355-65.7734211.3012266.3314
850.3364-0.1992-0.26492.34182.14312.34090.0144-0.040.19-0.12760.1619-0.2245-0.22640.3455-0.10150.6201-0.08180.05910.3631-0.03160.7903-59.9214215.904251.5063
863.18760.30631.82194.80140.75523.0398-0.17880.34230.1937-0.20640.4963-0.4988-0.56040.8481-0.18190.8265-0.35530.04050.736-0.2750.8096-52.1447216.7675259.2214
873.9924-0.3256-2.29942.0557-0.52491.5721-0.1687-0.24470.63480.5571-0.04530.4935-0.2818-0.35230.08580.42880.2693-0.07050.6014-0.17290.4968-56.4504136.1403306.6241
880.39560.11360.06340.71150.44050.5916-0.0382-0.0702-0.05670.1754-0.0129-0.26370.05350.19580.06460.32820.3111-0.26560.60760.07570.4874-43.9562130.9025307.2212
893.4955-0.9249-1.87573.0917-0.93141.72240.13570.25350.1156-0.1131-0.1152-0.36480.10370.5232-0.00360.72940.1915-0.10760.75150.17620.4837-49.5525126.2131312.5277
901.06021.32990.5341.68720.67042.82230.4011-0.0535-0.20220.4649-0.0029-0.4990.3615-0.425-0.3490.55420.13210.03020.69340.16570.656-55.0264115.7087307.4841
912.00030.0321-1.84333.1192-2.22923.25250.5468-0.492-0.41160.819-0.3056-0.48391.1223-1.0889-0.25240.9657-0.1597-0.25580.80960.22660.5581-57.2734116.9153316.67
923.82790.24541.36213.2084-0.98060.84210.1648-0.08210.40960.4871-0.23480.45480.011-0.72480.1060.48720.19020.01631.2357-0.11550.4631-62.3445128.2807311.3898
935.647-0.0222-1.6862.68171.16521.81490.16650.3856-0.0470.10080.00010.6210.0096-0.4802-0.10850.34340.1294-0.01560.31540.00790.4431-76.516988.7939272.005
943.16990.839-1.05761.5528-0.45011.04430.2424-0.0377-0.39860.2555-0.1808-0.02170.05640.1451-0.05960.60580.01180.13470.2642-0.00030.4438-65.457282.3101272.9333
950.79620.5497-0.37980.86110.43351.8355-0.0940.12030.08-0.17290.09980.0130.2553-0.0938-0.00750.6998-0.0179-0.12740.36510.04830.6467-68.778976.0955257.9258
963.1564-0.0383-1.00735.1877-0.81913.6348-0.03290.3471-0.0545-0.2082-0.11370.56910.762-0.37430.16420.5986-0.0968-0.06540.3748-0.0280.4412-77.662775.7283264.3662
972.0463-2.03491.15392.0328-1.33554.1778-0.18250.1929-0.435-0.01050.2177-0.18060.32710.16930.01240.3994-0.0920.06990.64980.21681.2188-103.8141109.5847279.2438
980.680.0605-0.57791.1820.14810.5782-0.08770.0882-0.034-0.0110.1470.11520.2567-0.4164-0.02480.4361-0.24090.02671.10790.26811.203-115.397115.1666279.4589
991.80170.40680.41681.12940.4242.764-0.0845-0.29180.20840.2767-0.09110.34140.5209-0.32260.17330.6313-0.0770.15950.91280.05480.8016-110.2096123.5767292.7898
1000.7622-0.9117-0.41351.3495-0.51594.170.3593-0.807-0.3550.7088-0.49080.51460.15290.0440.13770.5711-0.12480.2290.96730.23750.9544-112.9937115.7486297.7741
1013.9431-1.84111.48522.61271.15423.76710.1167-0.0146-0.52730.03580.1543-0.27760.32040.3281-0.08570.5694-0.10190.01910.93770.49021.4361-103.2718110.4811290.1115
1022.8199-0.42660.84860.1393-0.4191.38250.09850.40280.0039-0.29730.02310.5380.4663-0.5674-0.02750.3545-0.1542-0.10870.4153-0.17990.7245-69.782990.9189210.2862
1030.76620.5058-0.23141.41010.39650.8539-0.03980.0147-0.2345-0.12970.0451-0.06070.25610.021-0.02650.8306-0.0194-0.18960.1391-0.14940.8095-58.432984.8742210.2541
1041.2543-0.6569-0.66374.14190.57320.94470.25680.3887-0.4904-0.424-0.1196-0.15510.4362-0.1336-0.03930.96480.025-0.12430.581-0.2370.6691-54.757293.5452196.5964
1051.5966-1.18030.64321.51190.17832.8496-0.08210.5794-0.7168-0.7830.22870.0530.35560.3826-0.09641.0508-0.23710.1120.6413-0.41940.8489-59.350686.7914191.7056
1062.6579-1.51630.09872.9005-1.0150.9959-0.12550.04050.051-0.01490.1320.5710.1791-0.08970.03121.1246-0.2164-0.09740.5571-0.38181.1038-69.412691.5116199.3888
1077.0054-0.5287-2.16222.54671.64032.49190.09780.22460.3622-0.54770.0339-0.8526-0.46030.4064-0.19790.5386-0.04940.09440.57620.17590.6716-53.7064196.6234206.6111
1082.47630.94430.58011.5656-0.25580.7007-0.160.23210.2141-0.6256-0.2485-0.2538-0.26360.02640.29891.1035-0.04620.05540.49750.15870.4393-64.9428202.5216204.5398
1092.05210.93260.18773.8751-0.49521.7886-0.32750.2810.0484-0.80.1515-0.0803-0.11580.25950.01651.35670.07910.02920.73760.0620.7335-66.7975192.6133191.3705
1101.5806-0.30210.42891.5911-1.75111.9316-0.39730.83520.4654-1.03170.63110.417-0.145-0.1943-0.16571.781-0.20350.09170.93040.32060.6353-61.5928198.9518186.5181
1113.1902-2.51180.17832.60070.70451.15070.04420.16630.0457-0.65780.1172-0.7064-0.11450.134-0.14610.9908-0.00710.29460.62120.1910.8548-52.6322195.0528195.8645
1123.9594-0.44743.30392.0431.19253.98380.0782-0.2607-0.21360.46030.0379-0.25180.58220.4498-0.17020.48130.15280.1630.57170.22590.6774-80.227161.4521304.2349
1130.82870.74070.30531.5225-0.46031.7061-0.0592-0.4304-0.0210.3599-0.21960.2068-0.0046-0.37570.12160.64590.11060.29080.78320.09210.4329-91.2974167.9823303.9412
1140.2537-0.0354-0.52351.60681.25433.36210.1918-0.44270.37820.2313-0.02450.0386-0.12060.0297-0.18450.66630.11020.14720.7487-0.18020.513-82.2176181.7509302.1982
1152.2928-0.2245-0.4891.86291.18534.4608-0.0504-0.5154-0.0070.4631-0.02430.0601-0.28670.53280.17511.08360.04840.2170.8621-0.04480.3688-78.0681175.3378310.0924
1161.4657-2.0770.63243.5229-1.681.80.27020.1847-0.22-0.58120.04450.271-0.0018-0.4166-0.05190.9012-0.324-0.02171.0334-0.25150.3422-42.3425139.9017183.7013
1170.74110.06120.92280.52390.22562.6426-0.10560.286-0.4086-0.40790.0138-0.02520.0894-0.08190.12410.8521-0.36050.34920.9746-0.40380.7546-30.6177134.626184.0779
1180.5421-0.3122-0.49231.52860.95232.50490.11840.3381-0.1728-0.2982-0.0669-0.2457-0.04270.25660.0031.0906-0.32310.3181.0196-0.18730.5197-24.6077150.0313185.3702
1190.3023-0.3291-0.26660.93220.4613.8937-0.0460.00710.0446-0.41730.1085-0.1517-0.4244-0.0686-0.03671.024-0.51550.21831.4056-0.29380.4305-32.2804149.5006177.5189
1202.4858-2.17970.69694.60280.58522.08580.25670.03070.5239-0.18050.02660.1013-0.7143-0.1128-0.3631.0107-0.47790.20660.74970.00460.4758-21.332186.067218.8932
1210.0196-0.00070.07350.329-0.0510.28570.02590.08310.0518-0.12790.0699-0.0711-0.11370.12290.09350.7231-0.6780.2911.0355-0.0520.3756-9.5852181.0256220.2931
1220.83980.6501-0.52380.7223-0.30460.42260.01060.03250.1448-0.1319-0.0837-0.0623-0.43310.2976-0.081.1332-0.80510.16921.1231-0.04110.7265-8.9351188.6726235.0015
1231.75021.22450.11912.2699-0.14250.2050.2504-0.4916-0.06440.3632-0.363-0.4114-0.3640.47130.08181.1654-0.78430.26171.1602-0.08870.7218-6.0349196.3432230.2159
1244.0531-1.73260.33323.3472.19032.31360.2099-0.1480.2462-0.4818-0.11670.0085-0.3985-0.2604-0.19811.0225-0.60480.12480.9982-0.05630.5344-18.2539194.6996224.8228
1254.1042-2.5516-2.01966.03751.24511.70680.16380.15340.0053-0.73140.0715-0.54030.23280.164-0.19970.7168-0.18680.06180.441-0.08810.3772-78.2448145.3164181.1799
1260.68330.1794-0.78090.40150.29321.99550.01880.1947-0.008-0.24830.05770.0614-0.0793-0.19810.09751.5131-0.2902-0.40580.72140.02530.4416-89.9935150.3611179.7876
1270.45590.10020.27230.632-0.49681.7814-0.07320.2245-0.2223-0.4090.21830.31640.4598-0.3408-0.21991.3734-0.3322-0.45650.88540.05460.8027-95.9493134.9983181.6906
1281.1335-0.35-0.67963.0506-0.54743.0896-0.01470.03190.0575-0.74330.0093-0.04270.5058-0.26350.02011.5885-0.2125-0.2230.8305-0.03690.544-87.4433135.0341174.7377
1294.2605-2.9796-2.00224.7656-0.47822.2547-0.1142-0.0181-0.7998-0.32190.2275-0.08660.77450.5743-0.05321.1465-0.0247-0.12181.1732-0.2361.4529-102.2625101.7069217.364
1300.9705-0.6709-0.94311.52430.02771.289-0.13550.3235-0.1435-0.23310.1160.37070.1564-0.6337-0.0081.7578-0.5268-0.55122.02490.00911.4524-114.3628106.0384216.9453
1310.1297-0.22940.50280.5268-0.57772.65910.03260.1769-0.0367-0.26090.12650.3310.3956-0.3816-0.1482.2286-0.9256-0.32832.15890.01391.8654-116.441399.3619231.9919
1321.38471.1564-0.83722.2944-0.85550.52480.4734-0.6834-0.28660.4237-0.15390.4361.0428-0.8642-0.31662.295-1.2862-0.18432.19110.15311.749-118.22391.0597227.4501
1332.4069-2.2142-0.30233.0141-1.0381.8264-0.0545-0.4865-0.1037-0.2179-0.05320.05970.26750.30550.21161.751-0.6325-0.52531.7532-0.27931.673-105.569893.2965223.4979
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 18 )
2X-RAY DIFFRACTION2chain 'A' and (resid 19 through 45 )
3X-RAY DIFFRACTION3chain 'A' and (resid 46 through 83 )
4X-RAY DIFFRACTION4chain 'A' and (resid 84 through 142 )
5X-RAY DIFFRACTION5chain 'A' and (resid 143 through 218 )
6X-RAY DIFFRACTION6chain 'A' and (resid 219 through 257 )
7X-RAY DIFFRACTION7chain 'A' and (resid 258 through 275 )
8X-RAY DIFFRACTION8chain 'T' and (resid -1 through 31 )
9X-RAY DIFFRACTION9chain 'T' and (resid 32 through 81 )
10X-RAY DIFFRACTION10chain 'T' and (resid 82 through 137 )
11X-RAY DIFFRACTION11chain 'T' and (resid 138 through 162 )
12X-RAY DIFFRACTION12chain 'T' and (resid 163 through 201 )
13X-RAY DIFFRACTION13chain 'G' and (resid 2 through 18 )
14X-RAY DIFFRACTION14chain 'G' and (resid 19 through 45 )
15X-RAY DIFFRACTION15chain 'G' and (resid 46 through 83 )
16X-RAY DIFFRACTION16chain 'G' and (resid 84 through 177 )
17X-RAY DIFFRACTION17chain 'G' and (resid 178 through 218 )
18X-RAY DIFFRACTION18chain 'G' and (resid 219 through 257 )
19X-RAY DIFFRACTION19chain 'G' and (resid 258 through 275 )
20X-RAY DIFFRACTION20chain 'B' and (resid 2 through 18 )
21X-RAY DIFFRACTION21chain 'B' and (resid 19 through 45 )
22X-RAY DIFFRACTION22chain 'B' and (resid 46 through 83 )
23X-RAY DIFFRACTION23chain 'B' and (resid 84 through 142 )
24X-RAY DIFFRACTION24chain 'B' and (resid 143 through 218 )
25X-RAY DIFFRACTION25chain 'B' and (resid 219 through 275 )
26X-RAY DIFFRACTION26chain 'L' and (resid 2 through 18 )
27X-RAY DIFFRACTION27chain 'L' and (resid 19 through 45 )
28X-RAY DIFFRACTION28chain 'L' and (resid 46 through 83 )
29X-RAY DIFFRACTION29chain 'L' and (resid 84 through 118 )
30X-RAY DIFFRACTION30chain 'L' and (resid 119 through 218 )
31X-RAY DIFFRACTION31chain 'L' and (resid 219 through 275 )
32X-RAY DIFFRACTION32chain 'K' and (resid 2 through 45 )
33X-RAY DIFFRACTION33chain 'K' and (resid 46 through 83 )
34X-RAY DIFFRACTION34chain 'K' and (resid 84 through 142 )
35X-RAY DIFFRACTION35chain 'K' and (resid 143 through 218 )
36X-RAY DIFFRACTION36chain 'K' and (resid 219 through 257 )
37X-RAY DIFFRACTION37chain 'K' and (resid 258 through 275 )
38X-RAY DIFFRACTION38chain 'F' and (resid 2 through 18 )
39X-RAY DIFFRACTION39chain 'F' and (resid 19 through 45 )
40X-RAY DIFFRACTION40chain 'F' and (resid 46 through 83 )
41X-RAY DIFFRACTION41chain 'F' and (resid 84 through 142 )
42X-RAY DIFFRACTION42chain 'F' and (resid 143 through 218 )
43X-RAY DIFFRACTION43chain 'F' and (resid 219 through 257 )
44X-RAY DIFFRACTION44chain 'F' and (resid 258 through 275 )
45X-RAY DIFFRACTION45chain 'J' and (resid 2 through 45 )
46X-RAY DIFFRACTION46chain 'J' and (resid 46 through 83 )
47X-RAY DIFFRACTION47chain 'J' and (resid 84 through 142 )
48X-RAY DIFFRACTION48chain 'J' and (resid 143 through 218 )
49X-RAY DIFFRACTION49chain 'J' and (resid 219 through 257 )
50X-RAY DIFFRACTION50chain 'J' and (resid 258 through 275 )
51X-RAY DIFFRACTION51chain 'C' and (resid 2 through 18 )
52X-RAY DIFFRACTION52chain 'C' and (resid 19 through 45 )
53X-RAY DIFFRACTION53chain 'C' and (resid 46 through 83 )
54X-RAY DIFFRACTION54chain 'C' and (resid 84 through 142 )
55X-RAY DIFFRACTION55chain 'C' and (resid 143 through 193 )
56X-RAY DIFFRACTION56chain 'C' and (resid 194 through 218 )
57X-RAY DIFFRACTION57chain 'C' and (resid 219 through 257 )
58X-RAY DIFFRACTION58chain 'C' and (resid 258 through 275 )
59X-RAY DIFFRACTION59chain 'I' and (resid 2 through 18 )
60X-RAY DIFFRACTION60chain 'I' and (resid 19 through 45 )
61X-RAY DIFFRACTION61chain 'I' and (resid 46 through 83 )
62X-RAY DIFFRACTION62chain 'I' and (resid 84 through 142 )
63X-RAY DIFFRACTION63chain 'I' and (resid 143 through 218 )
64X-RAY DIFFRACTION64chain 'I' and (resid 219 through 275 )
65X-RAY DIFFRACTION65chain 'H' and (resid 2 through 18 )
66X-RAY DIFFRACTION66chain 'H' and (resid 19 through 45 )
67X-RAY DIFFRACTION67chain 'H' and (resid 46 through 83 )
68X-RAY DIFFRACTION68chain 'H' and (resid 84 through 142 )
69X-RAY DIFFRACTION69chain 'H' and (resid 143 through 228 )
70X-RAY DIFFRACTION70chain 'H' and (resid 229 through 275 )
71X-RAY DIFFRACTION71chain 'D' and (resid 2 through 18 )
72X-RAY DIFFRACTION72chain 'D' and (resid 19 through 45 )
73X-RAY DIFFRACTION73chain 'D' and (resid 46 through 83 )
74X-RAY DIFFRACTION74chain 'D' and (resid 84 through 142 )
75X-RAY DIFFRACTION75chain 'D' and (resid 143 through 218 )
76X-RAY DIFFRACTION76chain 'D' and (resid 219 through 275 )
77X-RAY DIFFRACTION77chain 'E' and (resid 2 through 18 )
78X-RAY DIFFRACTION78chain 'E' and (resid 19 through 45 )
79X-RAY DIFFRACTION79chain 'E' and (resid 46 through 84 )
80X-RAY DIFFRACTION80chain 'E' and (resid 85 through 177 )
81X-RAY DIFFRACTION81chain 'E' and (resid 178 through 218 )
82X-RAY DIFFRACTION82chain 'E' and (resid 219 through 275 )
83X-RAY DIFFRACTION83chain 'N' and (resid -1 through 31 )
84X-RAY DIFFRACTION84chain 'N' and (resid 32 through 81 )
85X-RAY DIFFRACTION85chain 'N' and (resid 82 through 137 )
86X-RAY DIFFRACTION86chain 'N' and (resid 138 through 201 )
87X-RAY DIFFRACTION87chain 'S' and (resid -1 through 31 )
88X-RAY DIFFRACTION88chain 'S' and (resid 32 through 65 )
89X-RAY DIFFRACTION89chain 'S' and (resid 66 through 81 )
90X-RAY DIFFRACTION90chain 'S' and (resid 82 through 137 )
91X-RAY DIFFRACTION91chain 'S' and (resid 138 through 162 )
92X-RAY DIFFRACTION92chain 'S' and (resid 163 through 201 )
93X-RAY DIFFRACTION93chain 'X' and (resid -1 through 31 )
94X-RAY DIFFRACTION94chain 'X' and (resid 32 through 81 )
95X-RAY DIFFRACTION95chain 'X' and (resid 82 through 137 )
96X-RAY DIFFRACTION96chain 'X' and (resid 138 through 201 )
97X-RAY DIFFRACTION97chain 'R' and (resid -1 through 31 )
98X-RAY DIFFRACTION98chain 'R' and (resid 32 through 81 )
99X-RAY DIFFRACTION99chain 'R' and (resid 82 through 137 )
100X-RAY DIFFRACTION100chain 'R' and (resid 138 through 162 )
101X-RAY DIFFRACTION101chain 'R' and (resid 163 through 201 )
102X-RAY DIFFRACTION102chain 'W' and (resid -1 through 31 )
103X-RAY DIFFRACTION103chain 'W' and (resid 32 through 81 )
104X-RAY DIFFRACTION104chain 'W' and (resid 82 through 137 )
105X-RAY DIFFRACTION105chain 'W' and (resid 138 through 162 )
106X-RAY DIFFRACTION106chain 'W' and (resid 163 through 201 )
107X-RAY DIFFRACTION107chain 'O' and (resid -1 through 31 )
108X-RAY DIFFRACTION108chain 'O' and (resid 32 through 81 )
109X-RAY DIFFRACTION109chain 'O' and (resid 82 through 137 )
110X-RAY DIFFRACTION110chain 'O' and (resid 138 through 162 )
111X-RAY DIFFRACTION111chain 'O' and (resid 163 through 201 )
112X-RAY DIFFRACTION112chain 'M' and (resid -1 through 31 )
113X-RAY DIFFRACTION113chain 'M' and (resid 32 through 81 )
114X-RAY DIFFRACTION114chain 'M' and (resid 82 through 137 )
115X-RAY DIFFRACTION115chain 'M' and (resid 138 through 201 )
116X-RAY DIFFRACTION116chain 'V' and (resid -1 through 31 )
117X-RAY DIFFRACTION117chain 'V' and (resid 32 through 81 )
118X-RAY DIFFRACTION118chain 'V' and (resid 82 through 137 )
119X-RAY DIFFRACTION119chain 'V' and (resid 138 through 201 )
120X-RAY DIFFRACTION120chain 'U' and (resid -1 through 31 )
121X-RAY DIFFRACTION121chain 'U' and (resid 32 through 81 )
122X-RAY DIFFRACTION122chain 'U' and (resid 82 through 137 )
123X-RAY DIFFRACTION123chain 'U' and (resid 138 through 162 )
124X-RAY DIFFRACTION124chain 'U' and (resid 163 through 201 )
125X-RAY DIFFRACTION125chain 'P' and (resid -1 through 31 )
126X-RAY DIFFRACTION126chain 'P' and (resid 32 through 81 )
127X-RAY DIFFRACTION127chain 'P' and (resid 82 through 137 )
128X-RAY DIFFRACTION128chain 'P' and (resid 138 through 201 )
129X-RAY DIFFRACTION129chain 'Q' and (resid -1 through 31 )
130X-RAY DIFFRACTION130chain 'Q' and (resid 32 through 81 )
131X-RAY DIFFRACTION131chain 'Q' and (resid 82 through 137 )
132X-RAY DIFFRACTION132chain 'Q' and (resid 138 through 162 )
133X-RAY DIFFRACTION133chain 'Q' and (resid 163 through 201 )

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