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- PDB-7bj5: Inulosucrase from Halalkalicoccus jeotgali -

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Basic information

Entry
Database: PDB / ID: 7bj5
TitleInulosucrase from Halalkalicoccus jeotgali
ComponentsLevansucrase
KeywordsTRANSFERASE / inulosucrase / levansucrase
Function / homologylevansucrase activity / Glycoside hydrolase, family 68 / Levansucrase/Invertase / carbohydrate utilization / Glycosyl hydrolase, five-bladed beta-propellor domain superfamily / Levansucrase
Function and homology information
Biological speciesHalalkalicoccus jeotgali B3 (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.75 Å
AuthorsGhauri, K. / Pijning, T. / Munawar, N. / Ali, H. / Ghauri, M.A. / Anwar, M.A. / Wallis, R.
CitationJournal: Febs J. / Year: 2021
Title: Crystal structure of an inulosucrase from Halalkalicoccus jeotgali B3T, a halophilic archaeal strain.
Authors: Ghauri, K. / Pijning, T. / Munawar, N. / Ali, H. / Ghauri, M.A. / Anwar, M.A. / Wallis, R.
History
DepositionJan 14, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 14, 2021Provider: repository / Type: Initial release
Revision 1.1May 5, 2021Group: Database references / Category: citation / Item: _citation.title
Revision 1.2Oct 13, 2021Group: Data collection / Database references
Category: citation / citation_author ...citation / citation_author / database_2 / diffrn_source / pdbx_database_proc
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _diffrn_source.pdbx_synchrotron_site
Revision 1.3Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / diffrn_source / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _diffrn_source.pdbx_synchrotron_site / _struct_ncs_dom_lim.beg_auth_comp_id ..._diffrn_source.pdbx_synchrotron_site / _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

Downloads & links

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Assembly

Deposited unit
A: Levansucrase
B: Levansucrase
C: Levansucrase
D: Levansucrase
E: Levansucrase
F: Levansucrase
G: Levansucrase
H: Levansucrase
I: Levansucrase
J: Levansucrase


Theoretical massNumber of molelcules
Total (without water)476,08310
Polymers476,08310
Non-polymers00
Water1,35175
1
A: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
I: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
J: Levansucrase


Theoretical massNumber of molelcules
Total (without water)47,6081
Polymers47,6081
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)121.541, 143.261, 172.759
Angle α, β, γ (deg.)90.000, 98.300, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain A
21chain B
31chain C
41chain D
51chain E
61chain F
71chain G
81chain H
91chain I
101chain J

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ALA / Beg label comp-ID: ALA / End auth comp-ID: PRO / End label comp-ID: PRO / Auth seq-ID: 9 - 414 / Label seq-ID: 9 - 414

Dom-IDSelection detailsAuth asym-IDLabel asym-ID
1chain AAA
2chain BBB
3chain CCC
4chain DDD
5chain EEE
6chain FFF
7chain GGG
8chain HHH
9chain III
10chain JJJ

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Components

#1: Protein
Levansucrase /


Mass: 47608.250 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Halalkalicoccus jeotgali B3 (archaea) / Gene: HacjB3_04715, C497_03082 / Production host: Escherichia coli (E. coli) / References: UniProt: D8J9C2
#2: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 75 / 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: 3.13 Å3/Da / Density % sol: 60.65 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M potassium/sodium tartrate, 0.1 M Bis Tris propane-HCl, pH 7.5 and 20 % w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.976 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 27, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.976 Å / Relative weight: 1
ReflectionResolution: 2.75→120.3 Å / Num. obs: 88299 / % possible obs: 99.4 % / Redundancy: 7 % / CC1/2: 0.989 / Rpim(I) all: 0.103 / Rsym value: 0.255 / Net I/σ(I): 7
Reflection shellResolution: 2.75→3.12 Å / Mean I/σ(I) obs: 1.8 / Num. unique obs: 4415 / CC1/2: 0.538 / Rpim(I) all: 0.515 / % possible all: 74.9

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4D47

4d47


Resolution: 2.75→105.82 Å / SU ML: 0.28 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 25.43 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2275 4327 4.91 %
Rwork0.1822 83856 -
obs0.1845 88183 57.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 164.3 Å2 / Biso mean: 57.9506 Å2 / Biso min: 12.39 Å2
Refinement stepCycle: final / Resolution: 2.75→105.82 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms31800 0 0 75 31875
Biso mean---33.01 -
Num. residues----4060
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A19602X-RAY DIFFRACTION11.866TORSIONAL
12B19602X-RAY DIFFRACTION11.866TORSIONAL
13C19602X-RAY DIFFRACTION11.866TORSIONAL
14D19602X-RAY DIFFRACTION11.866TORSIONAL
15E19602X-RAY DIFFRACTION11.866TORSIONAL
16F19602X-RAY DIFFRACTION11.866TORSIONAL
17G19602X-RAY DIFFRACTION11.866TORSIONAL
18H19602X-RAY DIFFRACTION11.866TORSIONAL
19I19602X-RAY DIFFRACTION11.866TORSIONAL
110J19602X-RAY DIFFRACTION11.866TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.75-2.780.504340.373571751
2.78-2.810.441950.40171301353
2.81-2.850.4091170.3371862034
2.85-2.880.3532160.36212722886
2.88-2.920.3996170.33363763938
2.92-2.960.4794210.331348750810
2.96-30.3191340.312860263613
3-3.050.3382360.304275378916
3.05-3.10.3438480.298491296019
3.1-3.150.3562560.29531095115123
3.15-3.20.3523770.27841314139127
3.2-3.260.3523840.26971646173034
3.26-3.320.32681100.26112056216643
3.32-3.390.28851340.26172420255451
3.39-3.460.30251400.24772778291857
3.46-3.540.27551650.24153097326265
3.54-3.630.29081750.24283609378475
3.63-3.730.31832440.22164115435986
3.73-3.840.2592380.20334677491597
3.84-3.960.23512460.184648135059100
3.96-4.110.22372400.16948625102100
4.11-4.270.20082590.154847985057100
4.27-4.460.20412530.140748345087100
4.46-4.70.17222490.131948295078100
4.7-4.990.17232330.138848195052100
4.99-5.380.19482660.161248375103100
5.38-5.920.23782270.178348715098100
5.92-6.780.24642110.190949105121100
6.78-8.540.19212750.175548495124100
8.54-105.820.19692470.17584838508597
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)
12.19931.3133-0.83390.495-0.67020.7858-0.2158-0.44730.82860.11490.04470.5845-0.3561-0.1913-0.00330.5910.06610.02540.3516-0.02680.5066-3.50713.95517.37
23.06670.0327-1.60442.60640.57972.5703-0.1019-0.11240.29260.32410.08690.2995-0.47520.12110.0440.40270.07510.06730.18570.0080.27586.06314.54613.816
32.63-0.0884-0.38123.95680.07363.244-0.13050.12250.2239-0.4170.11580.0895-0.4570.1758-0.02150.30720.00220.00230.27040.03540.24712.20712.9736.565
42.81180.6378-0.24683.79620.05962.5112-0.10130.3173-0.3157-0.21090.1553-0.05510.23460.1652-0.0260.27450.05460.01860.22-0.03720.222511.563-5.5548.954
54.4395-0.09991.03791.87370.04662.103-0.05940.1432-0.23070.27020.03040.1910.23630.11630.03180.40060.0350.0060.1313-0.05310.20552.594-4.73717.573
62.7511-0.53020.37733.33260.11492.8679-0.1329-0.23940.17760.32790.10470.226-0.1037-0.19370.04160.37930.00030.08840.2424-00.3641-4.1584.91720.535
72.7367-2.387-0.15311.98650.40340.7290.03290.59850.8561-0.5378-0.0064-0.43170.53091.14090.10640.6330.29590.16520.741-0.03350.4065-29.604-8.67874.475
82.7879-0.97490.01712.9378-0.91640.21410.27540.66710.1269-0.3265-0.2666-0.28060.63310.88850.02420.73340.310.09680.822-0.00280.4267-23.417-16.67274.577
92.24870.6506-0.21652.6626-0.46681.62820.34030.8891-0.0161-0.9139-0.3156-0.59030.92421.0465-0.11.0090.57520.08891.0553-0.05510.5347-21.306-22.82971.707
101.2318-1.10150.75382.15350.60042.08170.40790.6566-0.4373-0.8792-0.3017-0.53031.02640.4972-0.08731.08340.58960.09730.8424-0.0970.7226-21.266-30.29775.06
112.6699-0.4710.38491.6012-0.39882.95370.42660.2794-0.7709-0.5526-0.21880.16741.10940.2962-0.15350.9670.3081-0.15260.5082-0.11280.6335-30.681-34.45785.989
121.8965-1.34530.22192.8241-1.22692.25890.3890.3156-0.3985-0.6356-0.16690.18081.0260.2975-0.25150.61720.0981-0.07560.2905-0.03740.3312-34.676-23.83489.797
131.9640.32370.58132.785-1.82573.51010.06580.29570.2424-0.2411-0.1963-0.09780.20530.20830.06040.29160.16990.10010.3861-0.02540.3303-34.14-9.14582.863
143.7326-2.3645-0.26071.83630.54570.12160.23160.48580.4638-0.2832-0.1955-0.38230.05050.10760.01340.4132-0.01820.02480.4119-0.07620.42612.25560.32933.499
151.81950.1658-0.89855.1979-0.78720.76120.14040.15950.299-0.0466-0.0723-0.2140.02990.0388-0.05690.23660.02520.00650.3036-0.0640.31768.73652.44134.389
162.0164-0.23480.09614.0898-0.01923.0359-0.11070.2692-0.1563-0.47450.069-0.39120.31420.2703-0.00250.25550.02640.00360.4389-0.11450.314210.01142.80833.786
171.9229-0.4558-0.09632.8942-0.00882.58760.0686-0.0545-0.591-0.0855-0.01220.11150.5076-0.297-0.10470.3193-0.0631-0.01710.3895-0.0660.3951-0.96535.53548.453
182.2957-0.7006-0.53882.97730.41913.4283-0.01420.2016-0.3037-0.07930.04660.20650.2068-0.05760.00460.2346-0.06250.0080.234-0.02490.30790.35141.9849.47
193.5183-0.15830.84641.5473-0.94833.47960.1486-0.0051-0.12780.15370.02560.02410.0487-0.1381-0.15270.2679-0.0713-0.02580.2443-0.00810.3278-3.58751.45750.09
201.7245-0.9081-0.08992.2701-1.41193.69130.06440.07080.13930.04840.01130.0544-0.2076-0.0335-0.11580.22340.00590.03720.2437-0.02010.3748-2.18660.49841.913
210.5970.1210.84261.7754-1.01081.9810.05950.5537-0.1821-0.4197-0.1471-0.41620.2970.68040.28390.47090.04650.16580.3738-0.08730.593-45.96210.77170.109
221.6452-0.92640.1972.84181.39333.6173-0.2630.60010.0502-0.2692-0.3577-0.02310.10840.84020.04270.35360.06230.12130.1552-0.15650.2892-51.38919.20268.097
232.4164-0.25030.73633.21872.10795.20820.17390.32870.0734-0.5405-0.05-0.1715-0.16150.3737-0.14280.31010.05650.11240.3025-0.01220.3812-51.3322.3164.684
242.44730.3711-0.50983.28950.86382.13390.1935-0.07620.2899-0.2002-0.2065-0.0112-0.64090.3102-0.02720.31860.00910.04460.2324-0.01970.3956-56.05230.8174.694
251.6951-0.6749-0.74213.1749-0.10591.58140.0859-0.17210.17350.1371-0.09750.0668-0.05410.07570.01230.2122-0.03870.00590.2244-0.04570.2698-64.7117.59683.502
264.11060.18851.83362.55451.06524.35260.1081-0.0119-0.22540.40490.2368-0.38010.09290.5440.05920.26330.0570.03920.29410.05910.3016-46.2898.58880.688
272.85490.08190.33992.81920.26643.2332-0.01080.3827-0.3786-0.17180.0059-0.08930.46370.0349-0.00720.3541-0.0010.01250.19330.01180.26-55.3173.41571.862
280.5448-0.3794-0.34030.2904-0.24873.88310.2143-0.2032-0.77550.0259-0.11220.22760.8818-0.1857-0.04460.3229-0.04680.05180.3216-0.03490.478620.161-18.07176.956
290.42140.0863-0.55312.5529-0.61483.3949-0.0492-0.2497-0.0492-0.0415-0.08490.27860.1134-0.45540.06070.220.05090.08080.401-0.05630.410319.802-13.42186.058
302.1644-0.06310.41943.6185-0.44962.5331-0.0675-0.44090.13570.30660.09620.6677-0.318-0.74050.0020.22660.10970.0530.5228-0.08670.456515.773-6.47191.496
312.11660.3513-0.04152.8253-0.54233.4652-0.2558-0.0980.2307-0.15350.01250.4258-0.8753-0.35350.25460.37860.1319-0.05730.2535-0.05530.50824.3017.09982.024
321.69650.73711.022.10690.64894.1233-0.23010.06660.3379-0.15840.05020.162-0.2429-0.04550.18240.20840.0421-0.02310.24720.0580.399728.884-0.79973.603
331.44130.90480.30363.42570.0512.837-0.0437-0.0639-0.0438-0.23740.0480.13550.0146-0.16230.02960.22430.01370.06110.30870.05740.351325.97-12.46771.905
340.38180.54570.42512.2539-1.5722.1615-0.14070.1767-0.2352-0.4541-0.1302-0.2148-0.03220.54360.34060.4574-0.00470.00020.5058-0.06480.3423-13.322-62.78529.108
352.3733-0.5266-0.65232.5411-0.43142.7491-0.12320.0421-0.42720.5908-1.2179-1.4994-1.24251.00310.0970.29760.22920.2241-0.2294-0.7599-0.0985-18.534-54.11227.228
362.44360.3852-1.16861.7842-0.27063.37420.0897-0.26250.48630.2721-0.025-0.0253-0.99260.0329-0.03370.58090.0788-0.07780.3051-0.12390.4604-24.152-46.14533.183
372.6446-0.1867-0.48542.0749-0.28421.7671-0.1317-0.28850.12160.28080.0009-0.0259-0.2932-0.15790.12620.3820.0649-0.04080.314-0.09780.2827-26.468-61.54739.242
380.7493-0.1823-0.28570.43461.11283.35390.082-0.4972-0.84410.53630.19770.22211.0307-0.5029-0.23160.5326-0.1355-0.02050.74460.19040.5666-69.49553.33435.263
392.1545-0.14781.46162.42290.14763.69890.6048-1.4705-0.11650.4433-0.33490.38060.9113-1.0947-0.11990.4346-0.1510.09390.97280.05870.5045-70.06957.8744.301
401.8355-0.12830.30283.22-0.20821.46110.4239-1.0786-0.12480.5923-0.16990.42080.695-0.9865-0.28030.5734-0.19410.00261.2584-0.02450.4409-71.07256.43448.637
412.35060.4193-0.85553.01630.95070.78410.5316-1.23770.57920.3856-0.12920.899-0.194-0.8386-0.03810.6069-0.030.1691.2879-0.14660.7787-78.76668.44750.371
423.06781.30560.08763.02880.2732.88860.2612-0.77950.61010.4561-0.23560.667-0.5687-0.985-0.06570.55710.18180.06710.8797-0.20370.551-67.82375.74345.831
434.6046-0.73610.34293.316-1.22583.1508-0.53980.50420.0806-0.30140.8060.6029-0.5748-1.2681-0.16030.45070.266-0.07510.6094-0.07230.6631-65.72875.88529.112
441.70211.07421.3491.9601-0.27294.112-0.0974-0.24930.24210.09970.07880.0626-0.2655-0.2565-0.0550.20080.16430.01230.5034-0.07240.3876-60.12370.35932.358
452.68071.08830.83623.231-0.10023.0070.1766-0.1379-0.2131-0.02780.10190.01220.1941-0.5179-0.23150.32350.05590.00530.57410.01580.4001-63.37458.78630.345
461.65971.10.98161.95341.54711.3540.1445-1.0513-0.6381-0.53850.33160.84291.91970.1658-0.26451.1447-0.1944-0.26270.32930.00980.632118.055-31.06154.94
472.02390.04980.4651.67960.2292.4260.5389-0.0153-1.1409-0.67550.19720.33222.21240.0752-0.27091.8357-0.2549-0.37740.06020.00330.761517.526-37.23946.826
481.38680.7230.04571.4354-0.09931.71260.9405-0.1321-1.7144-0.7409-0.41160.61332.2395-1.1078-0.34242.27540.1157-0.47030.02190.00570.825115.752-41.41246.078
490.91820.44370.14951.42350.00351.17230.4989-0.4839-1.077-1.0963-0.27960.10082.8561-0.6358-0.25422.63770.6299-0.23420.2087-0.08860.905320.109-45.44140.652
500.8789-0.06560.30842.5072-0.1152.72740.57940.7494-0.2762-0.8697-0.7696-0.67712.99132.1475-0.15071.80160.8346-0.0950.3967-0.42380.491130.063-32.63529.026
511.5474-0.24090.47741.8164-1.74365.93210.22150.1302-0.1156-0.0794-0.19030.06330.70710.3809-0.04050.36680.0189-0.00210.19690.02130.364121.654-21.23144.402
521.1047-0.92130.81021.8261-1.67961.47660.26040.6733-0.6703-0.8455-0.0702-0.16971.07540.419-0.26050.7377-0.0397-0.16860.5536-0.09390.6554-50.696-31.111-12.855
531.6482-0.7868-0.33961.8025-1.89972.80340.72730.5722-0.6387-0.34230.10690.51681.2780.2297-0.61610.6369-0.0516-0.2080.5647-0.01710.6882-50.415-37.036-4.613
542.8538-0.7362-0.21221.29530.10413.58690.51250.2772-0.9849-0.12370.20830.01651.17950.0162-0.58450.7830.0752-0.34920.6214-0.00710.8202-48.603-41.225-3.721
553.3595-0.26940.20452.79380.17882.78370.1978-0.1384-0.70310.08870.26920.43421.1814-0.6841-0.50870.9064-0.2404-0.31520.72460.2970.8894-59.064-41.9435.348
561.5920.08810.15722.72071.26162.37650.1404-0.4884-0.31820.43810.24890.66310.5302-0.9227-0.38040.4125-0.0474-0.02160.96420.32690.6301-61.617-29.04114.16
572.059-0.04610.15162.0756-0.16293.4840.1814-0.074-0.203-0.09210.11630.33630.0698-0.7172-0.28160.25030.0632-0.02610.57920.01570.4021-57.145-19.7953.57
582.1032-0.00620.2522.8920.40563.29440.00530.5021-0.0718-0.3670.21990.18190.07270.0508-0.24420.34120.0927-0.03520.46090.0440.3708-51.476-22.249-9.342
592.8936-1.4559-0.45440.78680.11790.40360.05010.22850.41370.0377-0.3097-0.248-0.903-0.1611-0.02530.65240.13420.05460.4846-0.02320.5051-28.7414.29224.018
601.8111-0.2916-1.43171.2656-0.20011.51630.0356-0.00980.2452-0.15350.095-0.1515-0.408-0.6182-0.09120.5590.18190.16130.44490.01690.4278-38.18515.38627.291
612.24050.6347-0.68112.50230.46642.42380.072-0.09740.41250.32640.04680.1736-0.476-0.4882-0.14440.50490.25890.05350.4966-0.01020.3515-44.56914.06334.507
621.83940.0281-0.10733.2629-0.1072.9161-0.1301-0.2069-0.10570.26780.06250.0377-0.0778-0.42220.04190.33540.10220.06210.47340.02650.2236-44.412-4.52832.468
630.93460.30850.41111.8251-0.16471.2128-0.005-0.19350.0926-0.0230.0893-0.1395-0.0408-0.2439-0.07140.36410.12490.05220.44080.00790.2926-35.325-4.15924.038
641.85670.93790.25031.5236-0.28711.2556-0.0599-0.01150.0391-0.20610.126-0.1456-0.2221-0.0693-0.05360.38140.20910.11960.4245-0.01650.4375-28.1935.26521.056
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 30:51 )A30 - 51
2X-RAY DIFFRACTION2( CHAIN A AND RESID 52:85 )A52 - 85
3X-RAY DIFFRACTION3( CHAIN A AND RESID 86:196 )A86 - 196
4X-RAY DIFFRACTION4( CHAIN A AND RESID 197:306 )A197 - 306
5X-RAY DIFFRACTION5( CHAIN A AND RESID 307:340 )A307 - 340
6X-RAY DIFFRACTION6( CHAIN A AND RESID 341:414 )A341 - 414
7X-RAY DIFFRACTION7( CHAIN B AND RESID 30:51 )B30 - 51
8X-RAY DIFFRACTION8( CHAIN B AND RESID 52:85 )B52 - 85
9X-RAY DIFFRACTION9( CHAIN B AND RESID 86:147 )B86 - 147
10X-RAY DIFFRACTION10( CHAIN B AND RESID 148:190 )B148 - 190
11X-RAY DIFFRACTION11( CHAIN B AND RESID 191:249 )B191 - 249
12X-RAY DIFFRACTION12( CHAIN B AND RESID 250:340 )B250 - 340
13X-RAY DIFFRACTION13( CHAIN B AND RESID 341:414 )B341 - 414
14X-RAY DIFFRACTION14( CHAIN C AND RESID 30:51 )C30 - 51
15X-RAY DIFFRACTION15( CHAIN C AND RESID 52:85 )C52 - 85
16X-RAY DIFFRACTION16( CHAIN C AND RESID 86:196 )C86 - 196
17X-RAY DIFFRACTION17( CHAIN C AND RESID 197:237 )C197 - 237
18X-RAY DIFFRACTION18( CHAIN C AND RESID 238:306 )C238 - 306
19X-RAY DIFFRACTION19( CHAIN C AND RESID 307:340 )C307 - 340
20X-RAY DIFFRACTION20( CHAIN C AND RESID 341:414 )C341 - 414
21X-RAY DIFFRACTION21( CHAIN D AND RESID 30:51 )D30 - 51
22X-RAY DIFFRACTION22( CHAIN D AND RESID 52:85 )D52 - 85
23X-RAY DIFFRACTION23( CHAIN D AND RESID 86:123 )D86 - 123
24X-RAY DIFFRACTION24( CHAIN D AND RESID 124:196 )D124 - 196
25X-RAY DIFFRACTION25( CHAIN D AND RESID 197:340 )D197 - 340
26X-RAY DIFFRACTION26( CHAIN D AND RESID 341:368 )D341 - 368
27X-RAY DIFFRACTION27( CHAIN D AND RESID 369:414 )D369 - 414
28X-RAY DIFFRACTION28( CHAIN E AND RESID 30:51 )E30 - 51
29X-RAY DIFFRACTION29( CHAIN E AND RESID 52:85 )E52 - 85
30X-RAY DIFFRACTION30( CHAIN E AND RESID 86:196 )E86 - 196
31X-RAY DIFFRACTION31( CHAIN E AND RESID 197:306 )E197 - 306
32X-RAY DIFFRACTION32( CHAIN E AND RESID 307:340 )E307 - 340
33X-RAY DIFFRACTION33( CHAIN E AND RESID 341:414 )E341 - 414
34X-RAY DIFFRACTION34( CHAIN F AND RESID 30:51 )F30 - 51
35X-RAY DIFFRACTION35( CHAIN F AND RESID 52:85 )F52 - 85
36X-RAY DIFFRACTION36( CHAIN F AND RESID 86:229 )F86 - 229
37X-RAY DIFFRACTION37( CHAIN F AND RESID 230:414 )F230 - 414
38X-RAY DIFFRACTION38( CHAIN G AND RESID 30:51 )G30 - 51
39X-RAY DIFFRACTION39( CHAIN G AND RESID 52:85 )G52 - 85
40X-RAY DIFFRACTION40( CHAIN G AND RESID 86:123 )G86 - 123
41X-RAY DIFFRACTION41( CHAIN G AND RESID 124:147 )G124 - 147
42X-RAY DIFFRACTION42( CHAIN G AND RESID 148:284 )G148 - 284
43X-RAY DIFFRACTION43( CHAIN G AND RESID 285:306 )G285 - 306
44X-RAY DIFFRACTION44( CHAIN G AND RESID 307:340 )G307 - 340
45X-RAY DIFFRACTION45( CHAIN G AND RESID 341:414 )G341 - 414
46X-RAY DIFFRACTION46( CHAIN H AND RESID 30:51 )H30 - 51
47X-RAY DIFFRACTION47( CHAIN H AND RESID 52:85 )H52 - 85
48X-RAY DIFFRACTION48( CHAIN H AND RESID 86:123 )H86 - 123
49X-RAY DIFFRACTION49( CHAIN H AND RESID 124:166 )H124 - 166
50X-RAY DIFFRACTION50( CHAIN H AND RESID 167:264 )H167 - 264
51X-RAY DIFFRACTION51( CHAIN H AND RESID 265:414 )H265 - 414
52X-RAY DIFFRACTION52( CHAIN I AND RESID 30:51 )I30 - 51
53X-RAY DIFFRACTION53( CHAIN I AND RESID 52:85 )I52 - 85
54X-RAY DIFFRACTION54( CHAIN I AND RESID 86:123 )I86 - 123
55X-RAY DIFFRACTION55( CHAIN I AND RESID 124:196 )I124 - 196
56X-RAY DIFFRACTION56( CHAIN I AND RESID 197:264 )I197 - 264
57X-RAY DIFFRACTION57( CHAIN I AND RESID 265:340 )I265 - 340
58X-RAY DIFFRACTION58( CHAIN I AND RESID 341:414 )I341 - 414
59X-RAY DIFFRACTION59( CHAIN J AND RESID 30:51 )J30 - 51
60X-RAY DIFFRACTION60( CHAIN J AND RESID 52:85 )J52 - 85
61X-RAY DIFFRACTION61( CHAIN J AND RESID 86:196 )J86 - 196
62X-RAY DIFFRACTION62( CHAIN J AND RESID 197:306 )J197 - 306
63X-RAY DIFFRACTION63( CHAIN J AND RESID 307:340 )J307 - 340
64X-RAY DIFFRACTION64( CHAIN J AND RESID 341:414 )J341 - 414

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