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- PDB-6aqz: Crystal structure of a gdp-l-fucose synthetase from Naegleria fow... -

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Basic information

Entry
Database: PDB / ID: 6aqz
TitleCrystal structure of a gdp-l-fucose synthetase from Naegleria fowleri bound to NADP
Componentsgdp-l-fucose synthetase
KeywordsOXIDOREDUCTASE / NIAID / structural genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID
Function / homology
Function and homology information


GDP-L-fucose synthase / GDP-L-fucose synthase activity / 'de novo' GDP-L-fucose biosynthetic process
Similarity search - Function
GDP-L-fucose synthase/GDP-L-colitose synthase / UDP-galactose 4-epimerase, domain 1 / UDP-galactose 4-epimerase; domain 1 / NAD-dependent epimerase/dehydratase / NAD dependent epimerase/dehydratase family / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Alpha-Beta Complex / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / GDP-L-fucose synthase
Similarity search - Component
Biological speciesNaegleria fowleri (brain-eating amoeba)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease / Seattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: To Be Published
Title: Crystal structure of a gdp-l-fucose synthetase from Naegleria fowleri bound to NADP
Authors: Edwards, T.E. / Dranow, D.M. / Lorimer, D.D. / Seattle Structural Genomics Center for Infectious Disease
History
DepositionAug 21, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 30, 2017Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2017Group: Data collection
Category: diffrn_detector / diffrn_radiation_wavelength / diffrn_source
Item: _diffrn_detector.type / _diffrn_radiation_wavelength.wavelength
Revision 1.2Mar 7, 2018Group: Data collection / Category: diffrn_source / Item: _diffrn_source.source
Revision 1.3Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: gdp-l-fucose synthetase
B: gdp-l-fucose synthetase
C: gdp-l-fucose synthetase
D: gdp-l-fucose synthetase
E: gdp-l-fucose synthetase
F: gdp-l-fucose synthetase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)237,93812
Polymers234,1586
Non-polymers3,7796
Water4,504250
1
A: gdp-l-fucose synthetase
B: gdp-l-fucose synthetase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,6025
Polymers78,0532
Non-polymers1,5493
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4850 Å2
ΔGint-28 kcal/mol
Surface area28030 Å2
MethodPISA
2
C: gdp-l-fucose synthetase
D: gdp-l-fucose synthetase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,7963
Polymers78,0532
Non-polymers7431
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3470 Å2
ΔGint-26 kcal/mol
Surface area28460 Å2
MethodPISA
3
E: gdp-l-fucose synthetase
F: gdp-l-fucose synthetase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,5404
Polymers78,0532
Non-polymers1,4872
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4560 Å2
ΔGint-30 kcal/mol
Surface area26550 Å2
MethodPISA
Unit cell
Length a, b, c (Å)97.370, 104.030, 120.170
Angle α, β, γ (deg.)90.000, 108.670, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and ((resid 5 through 6 and (name N...
21(chain B and ((resid 5 through 6 and (name N...
31(chain C and ((resid 5 through 6 and (name N...
41(chain D and ((resid 5 through 6 and (name N...
51(chain E and (resid 5 through 40 or resid 42...
61(chain F and ((resid 5 through 6 and (name N...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLUGLUVALVAL(chain A and ((resid 5 through 6 and (name N...AA5 - 613 - 14
12HISHISNAPNAP(chain A and ((resid 5 through 6 and (name N...AA - G0 - 4018
13HISHISNAPNAP(chain A and ((resid 5 through 6 and (name N...AA - G0 - 4018
14HISHISNAPNAP(chain A and ((resid 5 through 6 and (name N...AA - G0 - 4018
15HISHISNAPNAP(chain A and ((resid 5 through 6 and (name N...AA - G0 - 4018
21GLUGLUVALVAL(chain B and ((resid 5 through 6 and (name N...BB5 - 613 - 14
22ARGARGNAPNAP(chain B and ((resid 5 through 6 and (name N...BB - H4 - 40112
23ARGARGNAPNAP(chain B and ((resid 5 through 6 and (name N...BB - H4 - 40112
24ARGARGNAPNAP(chain B and ((resid 5 through 6 and (name N...BB - H4 - 40112
25ARGARGNAPNAP(chain B and ((resid 5 through 6 and (name N...BB - H4 - 40112
31GLUGLUVALVAL(chain C and ((resid 5 through 6 and (name N...CC5 - 613 - 14
32HISHISNAPNAP(chain C and ((resid 5 through 6 and (name N...CC - J0 - 4018
33HISHISNAPNAP(chain C and ((resid 5 through 6 and (name N...CC - J0 - 4018
34HISHISNAPNAP(chain C and ((resid 5 through 6 and (name N...CC - J0 - 4018
35HISHISNAPNAP(chain C and ((resid 5 through 6 and (name N...CC - J0 - 4018
41GLUGLUVALVAL(chain D and ((resid 5 through 6 and (name N...DD5 - 613 - 14
42METMETLYSLYS(chain D and ((resid 5 through 6 and (name N...DD1 - 3339 - 341
43METMETLYSLYS(chain D and ((resid 5 through 6 and (name N...DD1 - 3339 - 341
44METMETLYSLYS(chain D and ((resid 5 through 6 and (name N...DD1 - 3339 - 341
45METMETLYSLYS(chain D and ((resid 5 through 6 and (name N...DD1 - 3339 - 341
51GLUGLUGLNGLN(chain E and (resid 5 through 40 or resid 42...EE5 - 4013 - 48
52LYSLYSLYSLYS(chain E and (resid 5 through 40 or resid 42...EE42 - 6250 - 70
53GLNGLNGLNGLN(chain E and (resid 5 through 40 or resid 42...EE6371
54GLUGLUNAPNAP(chain E and (resid 5 through 40 or resid 42...EE - K5 - 40113
55GLUGLUNAPNAP(chain E and (resid 5 through 40 or resid 42...EE - K5 - 40113
56GLUGLUNAPNAP(chain E and (resid 5 through 40 or resid 42...EE - K5 - 40113
57GLUGLUNAPNAP(chain E and (resid 5 through 40 or resid 42...EE - K5 - 40113
61GLUGLUVALVAL(chain F and ((resid 5 through 6 and (name N...FF5 - 613 - 14
62GLUGLUNAPNAP(chain F and ((resid 5 through 6 and (name N...FF - L5 - 40113
63GLUGLUNAPNAP(chain F and ((resid 5 through 6 and (name N...FF - L5 - 40113
64GLUGLUNAPNAP(chain F and ((resid 5 through 6 and (name N...FF - L5 - 40113
65GLUGLUNAPNAP(chain F and ((resid 5 through 6 and (name N...FF - L5 - 40113

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Components

#1: Protein
gdp-l-fucose synthetase


Mass: 39026.402 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Naegleria fowleri (brain-eating amoeba)
Strain: ATCC 30863 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A2D0TCK0*PLUS
#2: Chemical
ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE / Nicotinamide adenine dinucleotide phosphate


Mass: 743.405 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C21H28N7O17P3
#3: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 250 / 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: 2.46 Å3/Da / Density % sol: 50.05 %
Crystal growTemperature: 289 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: NafoA.00085.a.B1.PS38274 at 12 mg/mL with 2 mM NADP against MCSG1 screen condition H11 0.2 M NaCl, 0.1 M HEPES pH 7.5, 25% PEG 3350 supplemented with 15% EG as cryo, crystal tracking ID ...Details: NafoA.00085.a.B1.PS38274 at 12 mg/mL with 2 mM NADP against MCSG1 screen condition H11 0.2 M NaCl, 0.1 M HEPES pH 7.5, 25% PEG 3350 supplemented with 15% EG as cryo, crystal tracking ID 292643h11, unique puck ID dhq2-6

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 1 Å
DetectorType: RAYONIX MX300HE / Detector: CCD / Date: Aug 7, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.4→46.123 Å / Num. obs: 87872 / % possible obs: 98.8 % / Observed criterion σ(I): -3 / Redundancy: 3.778 % / Biso Wilson estimate: 53.45 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.051 / Rrim(I) all: 0.059 / Χ2: 1.022 / Net I/σ(I): 14.96
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
2.4-2.463.8540.5792.1465130.8240.67398.8
2.46-2.533.8490.4412.7562750.8990.51399.1
2.53-2.63.8490.3733.3161820.9210.43398.9
2.6-2.683.850.2914.2259520.9470.33899
2.68-2.773.8470.2275.4557600.9670.26498.9
2.77-2.873.8390.1736.8456230.9820.20198.9
2.87-2.983.8320.1378.754220.9870.15999.2
2.98-3.13.8320.10111.4851840.9920.11898.8
3.1-3.243.8070.08114.1450030.9940.09498.7
3.24-3.393.790.06517.4247430.9960.07698.6
3.39-3.583.7620.05221.6145320.9970.0698.8
3.58-3.793.7260.04224.9842850.9980.04998.7
3.79-4.063.7020.03827.6240410.9980.04598.6
4.06-4.383.6820.03630.1537740.9970.04299
4.38-4.83.6650.03332.0634830.9980.03998.8
4.8-5.373.6510.03332.0531270.9980.03898.5
5.37-6.23.6410.03331.9727830.9980.03898.6
6.2-7.593.6110.0333.3223710.9980.03598.9
7.59-10.733.5730.02634.8618390.9990.0398.9
10.73-46.1233.3520.02934.159800.9970.03492.7

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Processing

Software
NameVersionClassification
XSCALEdata scaling
PHENIX(1.12_2829: ???)refinement
PDB_EXTRACT3.22data extraction
XDSdata reduction
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4e5y

4e5y


Resolution: 2.4→46.123 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 26.21
RfactorNum. reflection% reflection
Rfree0.2244 2041 2.32 %
Rwork0.1778 --
obs0.1789 87834 98.82 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 175.65 Å2 / Biso mean: 67.0213 Å2 / Biso min: 27.74 Å2
Refinement stepCycle: final / Resolution: 2.4→46.123 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14847 0 244 250 15341
Biso mean--56.36 53.41 -
Num. residues----1949
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00815507
X-RAY DIFFRACTIONf_angle_d0.95321147
X-RAY DIFFRACTIONf_chiral_restr0.0542307
X-RAY DIFFRACTIONf_plane_restr0.0072740
X-RAY DIFFRACTIONf_dihedral_angle_d13.3678943
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A7556X-RAY DIFFRACTION12.247TORSIONAL
12B7556X-RAY DIFFRACTION12.247TORSIONAL
13C7556X-RAY DIFFRACTION12.247TORSIONAL
14D7556X-RAY DIFFRACTION12.247TORSIONAL
15E7556X-RAY DIFFRACTION12.247TORSIONAL
16F7556X-RAY DIFFRACTION12.247TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 15

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.4-2.45580.31151320.25755702583499
2.4558-2.51720.30261360.23635715585199
2.5172-2.58520.29371300.23745678580899
2.5852-2.66130.32071460.2325698584499
2.6613-2.74720.28121500.22165699584999
2.7472-2.84540.28031350.22845750588599
2.8454-2.95930.28781420.22615661580399
2.9593-3.09390.28671230.21025715583899
3.0939-3.2570.25911350.21285732586799
3.257-3.4610.26391340.20715693582799
3.461-3.72810.23431300.18315715584599
3.7281-4.10310.21031320.165714584699
4.1031-4.69630.16321290.13685773590299
4.6963-5.91490.18151440.15045745588999
5.9149-46.13190.19151430.15065803594698
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)
11.96030.5205-0.90065.2656-1.66312.7948-0.1572-0.28660.14930.49080.28890.2024-0.8269-0.1051-0.20210.7650.1182-0.02940.4329-0.06360.3253-43.90319.849332.781
22.0171-0.2929-0.63433.83320.87483.9874-0.0666-0.1497-0.11020.26710.13330.0928-0.08590.0087-0.05810.36850.0352-0.05430.27360.02020.3535-43.97985.814624.618
33.4661-2.03631.86571.8239-1.16553.0767-0.0999-0.25430.06260.0962-0.0087-0.2322-0.1520.54910.11730.5309-0.0018-0.05740.49630.01030.4209-24.726610.82931.6127
42.08221.20610.12692.01240.05754.6605-0.15290.122-0.0493-0.14220.16230.09240.9142-0.3647-0.03130.5648-0.0904-0.01630.30470.03930.4029-56.1663-21.09036.2383
52.22240.8921-0.01784.48570.13134.2208-0.21520.19450.3471-0.45690.14140.0295-0.24270.01770.0780.3705-0.0206-0.0720.27040.00030.3351-46.7219-6.65838.8345
62.6617-0.12830.44153.8381-2.32775.07830.09670.39890.4628-0.4370.40590.59120.0114-0.5532-0.42570.4963-0.04410.01250.40850.10650.5226-56.2635-7.0353-11.6483
71.87381.1654-0.0915.0101-1.27394.5286-0.153-0.25220.2870.69030.17970.2414-0.3935-0.55120.03920.46140.11390.17390.43280.01070.4728-66.017446.132669.5188
85.9657-0.3338-1.5241.3137-0.21074.44380.22470.24990.90840.14450.02180.0376-0.71570.0899-0.25820.495-0.02150.01710.30310.04830.4937-54.887753.732659.155
94.85150.102-0.44814.1431.5573.6147-0.08570.5297-0.6706-0.16340.1565-0.14990.27070.10790.00870.41260.0413-0.01660.51050.00730.3975-53.753334.217457.973
105.2708-0.3685-1.34873.64890.55672.88140.23730.2301-0.39260.20850.1794-0.19060.01960.0662-0.18030.36330.0026-0.00970.39070.01420.3451-47.518140.835761.174
115.47070.4529-1.35032.5496-0.12610.3744-0.0034-0.3043-0.0810.415-0.13320.1007-0.0039-0.05780.20130.33120.09270.01610.30650.03610.285-57.424241.977365.1895
122.2753-1.2782.60683.2697-2.00339.8550.03280.4741-0.0441-0.2858-0.0208-0.0450.0280.12410.06020.40880.0432-0.06150.65430.0810.5485-71.191445.373539.5748
134.9711-1.84454.7310.832-1.91334.63530.72230.7837-0.4152-1.23-0.46340.24530.51650.7804-0.12340.950.1695-0.06830.6815-0.04520.5784-69.437633.227536.6797
142.2212-0.92812.69482.4731-2.07829.01710.31330.4318-0.2976-0.44740.00990.3640.9383-0.0835-0.27570.3852-0.02430.0440.42840.00420.4565-68.938834.317551.1223
152.2657-1.21981.98461.3891-2.14246.2938-0.01090.1396-0.1660.20130.34360.4523-0.0863-0.7391-0.26520.37260.01880.05590.5150.09050.5104-74.535941.010553.45
161.08160.04960.22372.63440.33991.94230.00440.76450.0302-0.24510.3648-0.7892-0.12551.1183-0.36480.6024-0.22110.02021.5888-0.10570.6777-17.971345.10244.5802
178.36530.7095-5.96862.9533-0.55434.38640.17590.46020.9625-0.0366-0.0107-0.2384-0.82211.5626-0.34150.6118-0.337-0.03471.34840.09790.5869-25.05753.234853.044
184.51010.51811.00481.49010.29052.94370.1120.8619-0.28760.02980.0335-0.32280.19090.8194-0.16150.41550.0048-0.0520.7895-0.09970.4051-35.249840.124453.0225
195.01890.03251.56391.41760.85661.34760.451.2311-0.0920.33360.0997-0.24720.48491.164-0.27270.55470.0748-0.06430.998-0.2050.6073-21.978139.70255.8585
202.59190.60712.16821.4702-0.00684.53960.4091.0026-0.88170.21720.0946-0.31490.73910.7406-0.49440.74060.3079-0.21521.2116-0.44360.9064-14.53729.200158.6753
211.65021.3160.40184.33241.90155.46880.5161.2898-0.31860.14760.3884-0.7059-0.07731.13090.11750.69430.1965-0.36521.2986-0.31030.7234-6.10838.262864.3509
223.5536-3.0977-0.84212.8040.70593.2737-0.2658-0.2463-0.68440.1486-0.352-0.40670.82490.23480.74660.8354-0.1401-0.11480.72070.35440.7542-1.5125-20.24191.504
233.0035-1.30990.62033.2498-0.64882.68960.49710.0422-0.602-0.0761-0.7266-0.47471.240.72890.51890.86510.0337-0.06640.6970.16440.8711.1518-19.2995-11.0728
241.4375-0.80950.61644.1053-1.37483.59950.166-0.4014-0.06470.3892-0.4912-0.5343-0.14120.03530.29310.4674-0.0992-0.16730.77330.13310.6204-3.1262-3.3215-6.3787
252.7204-0.56420.90083.0141-0.8984.26920.038-0.554-0.4220.3153-0.2419-0.1184-0.0106-0.30810.11390.4974-0.0653-0.14510.81840.14670.5603-9.0102-4.4528-5.5144
260.78712.05251.13785.72223.25941.87080.15740.28-0.80940.35610.6701-0.26780.3353-0.2974-0.90350.7986-0.1699-0.33941.3440.36361.012619.3935-4.42354.9483
278.57466.86412.52535.6691.44183.1586-0.1559-1.91891.1837-0.6014-0.2797-0.60930.3159-0.28090.59870.96330.1594-0.18931.12230.00461.366617.255.459212.3311
285.19361.74381.40553.03831.98331.74070.0657-1.5114-1.28650.6092-0.2275-0.87870.4221-0.294-0.13430.8795-0.2467-0.22271.20710.52540.8445-1.4884-13.8188.4762
296.5336-1.24842.07491.22080.78782.18330.0245-1.14761.18921.2477-0.6944-0.3393-1.5141-0.26070.49571.1702-0.5161-0.40221.30920.30650.74040.6849-3.273812.123
300.3107-0.4321-0.20710.8710.37370.1328-0.7667-0.3990.14290.17380.4993-0.19160.1545-0.38480.35630.9381-0.3163-0.21661.45290.29640.75320.9692-7.571615.5022
312.4277-0.3664-0.14420.78190.87354.3083-0.2284-0.4698-0.72230.562-0.5733-0.48140.1941-0.03880.08190.7775-0.076-0.37381.21740.6391.296418.5005-12.0437.504
322.1352-0.0552-0.0922.6326-0.33756.1270.01910.08390.2464-0.2635-0.1893-0.3166-0.25570.78510.15740.39440.06270.00760.49910.04150.4066-8.02819.3865-35.806
333.11421.00591.6985.1602-1.80354.5464-0.01370.3323-0.1042-0.45010.0112-0.07040.12140.25010.00670.43740.11960.00350.5883-0.03460.4659-6.50737.5665-34.6062
341.9421-0.60171.63714.4504-1.16072.6465-0.0563-0.17840.01360.5478-0.1215-0.1132-0.2117-0.45530.22170.42390.0812-0.11720.68110.01280.4389-9.975710.1039-17.7325
359.68292.1147-1.98935.5557-2.07426.34410.1583-0.76730.18930.4428-0.1323-0.2519-0.2147-0.1450.07630.51070.1173-0.1540.65220.02320.4961-5.03799.276-15.5691
367.43890.54691.32421.6124-0.10731.5802-0.3287-0.2983-0.34040.06140.06480.01710.10970.0220.24980.49080.08210.02710.30920.00730.3793-25.138312.2208-28.0161
378.35623.70253.10343.21161.77014.24040.7875-0.835-0.21151.352-0.57980.3081.2378-0.3943-0.02940.7649-0.1120.08050.4424-0.03580.545-38.370914.9276-19.5732
386.45541.0325-0.93282.76710.43692.37530.0448-0.45870.25110.52690.0275-0.1686-0.08770.4997-0.1240.53160.0727-0.03320.3386-0.01770.3784-20.666123.2064-24.9137
392.94160.788-0.05982.78850.86522.80010.1406-0.12780.01440.5446-0.11190.10210.0887-0.0281-0.01670.53670.0805-0.02460.34320.00450.4498-29.522219.6296-26.7104
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 0 through 38 )A0 - 38
2X-RAY DIFFRACTION2chain 'A' and (resid 39 through 171 )A39 - 171
3X-RAY DIFFRACTION3chain 'A' and (resid 172 through 333 )A172 - 333
4X-RAY DIFFRACTION4chain 'B' and (resid 4 through 68 )B4 - 68
5X-RAY DIFFRACTION5chain 'B' and (resid 69 through 171 )B69 - 171
6X-RAY DIFFRACTION6chain 'B' and (resid 172 through 333 )B172 - 333
7X-RAY DIFFRACTION7chain 'C' and (resid 0 through 38 )C0 - 38
8X-RAY DIFFRACTION8chain 'C' and (resid 39 through 110 )C39 - 110
9X-RAY DIFFRACTION9chain 'C' and (resid 111 through 144 )C111 - 144
10X-RAY DIFFRACTION10chain 'C' and (resid 145 through 170 )C145 - 170
11X-RAY DIFFRACTION11chain 'C' and (resid 171 through 186 )C171 - 186
12X-RAY DIFFRACTION12chain 'C' and (resid 187 through 213 )C187 - 213
13X-RAY DIFFRACTION13chain 'C' and (resid 214 through 228 )C214 - 228
14X-RAY DIFFRACTION14chain 'C' and (resid 229 through 298 )C229 - 298
15X-RAY DIFFRACTION15chain 'C' and (resid 299 through 333 )C299 - 333
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 38 )D1 - 38
17X-RAY DIFFRACTION17chain 'D' and (resid 39 through 89 )D39 - 89
18X-RAY DIFFRACTION18chain 'D' and (resid 90 through 170 )D90 - 170
19X-RAY DIFFRACTION19chain 'D' and (resid 171 through 198 )D171 - 198
20X-RAY DIFFRACTION20chain 'D' and (resid 199 through 312 )D199 - 312
21X-RAY DIFFRACTION21chain 'D' and (resid 313 through 333 )D313 - 333
22X-RAY DIFFRACTION22chain 'E' and (resid 5 through 38 )E5 - 38
23X-RAY DIFFRACTION23chain 'E' and (resid 39 through 68 )E39 - 68
24X-RAY DIFFRACTION24chain 'E' and (resid 69 through 144 )E69 - 144
25X-RAY DIFFRACTION25chain 'E' and (resid 145 through 186 )E145 - 186
26X-RAY DIFFRACTION26chain 'E' and (resid 187 through 213 )E187 - 213
27X-RAY DIFFRACTION27chain 'E' and (resid 214 through 228 )E214 - 228
28X-RAY DIFFRACTION28chain 'E' and (resid 229 through 245 )E229 - 245
29X-RAY DIFFRACTION29chain 'E' and (resid 246 through 274 )E246 - 274
30X-RAY DIFFRACTION30chain 'E' and (resid 275 through 312 )E275 - 312
31X-RAY DIFFRACTION31chain 'E' and (resid 313 through 333 )E313 - 333
32X-RAY DIFFRACTION32chain 'F' and (resid 5 through 38 )F5 - 38
33X-RAY DIFFRACTION33chain 'F' and (resid 39 through 89 )F39 - 89
34X-RAY DIFFRACTION34chain 'F' and (resid 90 through 144 )F90 - 144
35X-RAY DIFFRACTION35chain 'F' and (resid 145 through 171 )F145 - 171
36X-RAY DIFFRACTION36chain 'F' and (resid 172 through 213 )F172 - 213
37X-RAY DIFFRACTION37chain 'F' and (resid 214 through 228 )F214 - 228
38X-RAY DIFFRACTION38chain 'F' and (resid 229 through 274 )F229 - 274
39X-RAY DIFFRACTION39chain 'F' and (resid 275 through 333 )F275 - 333

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