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- PDB-5lqd: Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA -

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Open data


ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5lqd
TitleTrehalose-6-phosphate synthase, GDP-glucose-dependent OtsA
ComponentsAlpha,alpha-trehalose-phosphate synthase
KeywordsTRANSFERASE / glycosyltransferase
Function / homology
Function and homology information


alpha,alpha-trehalose-phosphate synthase (UDP-forming) / alpha,alpha-trehalose-phosphate synthase (UDP-forming) activity / trehalose biosynthetic process
Similarity search - Function
Glycosyl transferase, family 20 / Glycosyltransferase family 20 / Glycogen Phosphorylase B; / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Alpha,alpha-trehalose-phosphate synthase
Similarity search - Component
Biological speciesStreptomyces venezuelae (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.95 Å
AuthorsMiah, F. / Asencion Diez, M.D. / Stevenson, C.E.M. / Lawson, D.M. / Iglesias, A.A. / Bornemann, S.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Biotechnology and Biological Sciences Research CouncilBB/J004561/1 United Kingdom
Biotechnology and Biological Sciences Research CouncilBB/F017294/1 Doctoral Training Partnership United Kingdom
CitationJournal: J. Biol. Chem. / Year: 2017
Title: The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae.
Authors: Asencion Diez, M.D. / Miah, F. / Stevenson, C.E. / Lawson, D.M. / Iglesias, A.A. / Bornemann, S.
History
DepositionAug 16, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 7, 2016Provider: repository / Type: Initial release
Revision 1.1Dec 14, 2016Group: Database references
Revision 1.2Feb 1, 2017Group: Database references
Revision 2.0Aug 30, 2017Group: Atomic model / Author supporting evidence / Category: atom_site / pdbx_audit_support
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _pdbx_audit_support.funding_organization
Revision 2.1Jan 24, 2018Group: Author supporting evidence / Source and taxonomy / Category: entity_src_gen / pdbx_audit_support
Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name ..._entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _entity_src_gen.pdbx_host_org_variant
Revision 2.2Jan 10, 2024Group: 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
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: Alpha,alpha-trehalose-phosphate synthase
B: Alpha,alpha-trehalose-phosphate synthase
C: Alpha,alpha-trehalose-phosphate synthase
D: Alpha,alpha-trehalose-phosphate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)206,32712
Polymers205,2984
Non-polymers1,0298
Water11,746652
1
A: Alpha,alpha-trehalose-phosphate synthase
C: Alpha,alpha-trehalose-phosphate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,1646
Polymers102,6492
Non-polymers5154
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3860 Å2
ΔGint13 kcal/mol
Surface area34920 Å2
MethodPISA
2
B: Alpha,alpha-trehalose-phosphate synthase
D: Alpha,alpha-trehalose-phosphate synthase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)103,1646
Polymers102,6492
Non-polymers5154
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3870 Å2
ΔGint12 kcal/mol
Surface area34820 Å2
MethodPISA
Unit cell
Length a, b, c (Å)41.430, 168.350, 133.920
Angle α, β, γ (deg.)90.000, 97.190, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Alpha,alpha-trehalose-phosphate synthase


Mass: 51324.531 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: The N terminal met was replaced with a tag with sequence MHHHHHHENLYFQG
Source: (gene. exp.) Streptomyces venezuelae (strain ATCC 10712 / CBS 650.69 / DSM 40230 / JCM 4526 / NBRC 13096 / PD 04745) (bacteria)
Gene: SVEN_4043 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): SoluBL21 / References: UniProt: F2RH01, EC: 2.4.1.36
#2: Chemical
ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#3: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


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


Mass: 18.015 Da / Num. of mol.: 652 / 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: 2.26 Å3/Da / Density % sol: 45.5 % / Description: Rectangular plates
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: Morpheus condition B7 (0.12 M ethylene glycols, 0.1 M imidazole and 2-(N-morpholino)ethanesulfonic acid (MES), pH 6.5, 30% (v/v) ethylene glycol and PEG 8K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.92 Å
DetectorType: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Oct 19, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.92 Å / Relative weight: 1
ReflectionResolution: 1.95→32.64 Å / Num. obs: 131515 / % possible obs: 99.6 % / Redundancy: 6.9 % / Biso Wilson estimate: 22.1 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.101 / Net I/σ(I): 14.6
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsCC1/2Diffraction-ID% possible all
1.95-26.21.1061.60.611198.6
8.72-32.647.30.02267.21197.8

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
Aimless0.1.29data scaling
PHASERphasing
REFMAC5.8.0135refinement
PDB_EXTRACT3.2data extraction
XDSdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3VDN

3vdn


Resolution: 1.95→32.64 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.927 / SU B: 10.536 / SU ML: 0.145 / SU R Cruickshank DPI: 0.1816 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.182 / ESU R Free: 0.161
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.2376 6621 5 %RANDOM
Rwork0.1967 ---
obs0.1988 124837 99.59 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parametersBiso max: 97.05 Å2 / Biso mean: 34.483 Å2 / Biso min: 15.6 Å2
Baniso -1Baniso -2Baniso -3
1-2.15 Å20 Å20.41 Å2
2---2.46 Å20 Å2
3---0.21 Å2
Refinement stepCycle: final / Resolution: 1.95→32.64 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13705 0 64 652 14421
Biso mean--32.16 33.73 -
Num. residues----1771
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.01914128
X-RAY DIFFRACTIONr_bond_other_d0.0020.0213367
X-RAY DIFFRACTIONr_angle_refined_deg1.4671.95319250
X-RAY DIFFRACTIONr_angle_other_deg0.963330535
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.21751776
X-RAY DIFFRACTIONr_dihedral_angle_2_deg33.55622.219676
X-RAY DIFFRACTIONr_dihedral_angle_3_deg12.74152137
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.13615167
X-RAY DIFFRACTIONr_chiral_restr0.0820.22133
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.02116170
X-RAY DIFFRACTIONr_gen_planes_other0.0010.023365
X-RAY DIFFRACTIONr_mcbond_it1.0230.7747095
X-RAY DIFFRACTIONr_mcbond_other1.0230.7747094
X-RAY DIFFRACTIONr_mcangle_it1.771.1528859
LS refinement shellResolution: 1.95→2 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.356 489 -
Rwork0.326 9053 -
all-9542 -
obs--98.51 %
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)
13.633-1.8062-0.19843.8857-0.80450.7705-0.0050.5817-0.35390.1123-0.21250.0451-0.16470.17140.21760.1481-0.01320.0280.3530.02750.310112.7931-36.6326-44.6718
26.2022.19951.00921.8125-0.53480.98-0.0250.31-0.4973-0.23410.2403-0.03120.1834-0.1773-0.21520.0553-0.01360.01630.3281-0.05710.5897-4.0025-41.6502-44.1786
37.9632-2.4388-2.94625.5354-1.60792.41040.08270.4109-0.4585-0.4082-0.15780.25440.1745-0.11010.0750.1806-0.0532-0.06670.3203-0.16370.30682.9507-42.1448-51.3406
41.7121-0.22-0.87831.42310.68830.77160.00670.0258-0.3212-0.0414-0.0240.1263-0.0051-0.07140.01740.14480.01180.00770.30180.06090.4746.7401-39.9395-42.8099
51.75560.81652.37890.46691.03183.30090.1034-0.1443-0.20220.05360.0164-0.23710.1034-0.2289-0.11980.2275-0.01990.05920.23020.0410.490.2406-45.7347-38.5218
61.9008-0.3749-0.62413.05810.10690.2877-0.0621-0.1288-0.19360.10380.12220.4327-0.0529-0.0447-0.06010.19350.00990.06420.35530.06480.33992.371-28.5664-39.8126
70.1569-0.3946-0.02241.14730.07560.0070.0381-0.0109-0.00160.0556-0.06140.12430.0024-0.02560.02320.22970.00230.02850.3027-0.01470.28464.5405-11.2639-50.5198
81.1042-0.26230.0021.4174-0.55520.6507-0.0166-0.1105-0.07150.0909-0.0425-0.1105-0.05920.05830.0590.19270.00180.00250.30180.02690.282815.3555-24.9317-42.0905
93.0821-2.85960.32284.6605-0.21970.3358-0.041-0.07970.05770.115-0.0223-0.0745-0.09450.0340.06330.1871-0.0218-0.03310.3160.01120.320717.9019-15.8504-44.0697
100.92840.13290.31833.1862-0.85960.4048-0.0838-0.090.0494-0.2483-0.1434-0.6241-0.03820.02360.22720.2014-0.01210.04420.31120.04130.372123.9569-18.8494-52.6268
113.4373.313.31583.47333.02153.45520.2111-0.1847-0.0199-0.1053-0.1955-0.14680.42130.0127-0.01560.40020.01040.01580.25260.00420.31212.6919-38.6896-65.1438
121.1553-0.30292.63586.4405-1.39366.1008-0.0025-0.1125-0.0726-0.760.16880.27560.0656-0.2451-0.16620.5461-0.0266-0.13260.12170.01840.2338-6.2794-37.4059-80.8624
130.2070.02930.40181.4660.23551.92250.0222-0.16690.0455-0.5225-0.04880.13160.2840.00830.02660.47250.0365-0.05450.2515-0.02280.2023-1.0812-20.8528-77.6059
143.7759-0.7523-0.55862.2987-0.16360.25660.0994-0.35430.1003-0.02740.04060.26390.1514-0.047-0.140.2714-0.0728-0.01250.30440.02270.2882-6.7283-19.453-59.7154
150.6719-0.54410.58440.6287-0.34880.61910.1658-0.125-0.1564-0.2604-0.03560.25150.121-0.2166-0.13020.4837-0.0797-0.21430.20680.01430.2913-10.5356-21.903-78.5473
160.53370.12720.50382.4431-0.34190.59340.1266-0.0430.0365-0.2984-0.11660.12230.20590.0564-0.010.4710.03260.01150.2232-0.02290.19753.2105-30.3827-71.719
171.77833.44193.28886.6636.36656.0895-0.0207-0.22310.2066-0.0518-0.40650.4018-0.0669-0.40120.42720.35490.05790.00980.3125-0.00540.302710.662-28.6484-65.53
180.7487-0.54680.04851.345-0.11610.04580.0665-0.14220.1143-0.5262-0.0846-0.19090.1160.06520.01810.54110.09550.08420.23230.02250.179611.8311-24.2752-77.7843
190.3988-0.87571.05312.2094-1.3337.42930.16030.07090.1577-0.4311-0.2862-0.53110.0931-0.00350.12590.38990.09520.130.27450.06220.37418.5512-35.0819-72.7717
204.12171.63875.79051.83252.39158.15080.15660.1613-0.10310.0013-0.0418-0.12970.17950.2241-0.11490.24060.03910.00340.30950.0320.329223.9455-36.4212-53.0104
211.41510.99740.97664.35981.57230.89750.0846-0.1494-0.21070.34970.0454-0.290.1197-0.1021-0.130.188-0.02740.00850.2941-0.03610.37519.5736-42.3107-9.197
222.219-3.588-3.3625.96995.71145.5842-0.0922-0.4401-0.0199-0.04680.5252-0.2239-0.18560.4396-0.4330.35830.17890.10990.44860.26750.726833.5714-47.758-8.0535
230.0423-0.4457-0.1875.21952.19590.92520.0138-0.04360.02520.06020.1576-0.36320.02350.0643-0.17140.1372-0.01630.03470.3344-0.04550.446124.6995-42.4186-12.7531
247.36222.27163.80221.82861.71362.22470.126-0.1139-0.5173-0.17630.1232-0.0923-0.03540.0377-0.24920.17960.0040.12490.2209-0.08240.481529.6867-48.1631-17.2086
253.23761.8126-0.97473.70560.36250.6402-0.12970.1101-0.2619-0.11690.1943-0.3639-0.04720.0798-0.06450.1977-0.03140.0970.3167-0.05530.359526.67-33.5458-14.493
260.12360.35060.0751.04260.19640.052-0.00380.0484-0.0335-0.02450.0267-0.13410.00650.0711-0.02290.2185-0.00960.02150.3078-0.01180.291624.1802-16.2025-1.8923
272.50022.39410.27784.43520.57660.3346-0.11730.1716-0.0508-0.35440.053-0.0569-0.1395-0.1090.06430.2191-0.01950.0390.3056-0.03770.254718.5206-27.744-16.8584
281.3910.91770.51061.98870.99511.3588-0.08410.093-0.09390.023-0.03060.2255-0.04840.00430.11470.1502-0.02560.01950.2839-0.03260.304910.9769-28.7193-8.8079
294.41032.79640.21126.50742.44441.1384-0.0520.12680.0416-0.02720.0596-0.0029-0.0104-0.0001-0.00760.22210.0107-0.03640.27510.00250.322814.3858-15.096-9.4418
304.56584.8425-2.45037.4874-0.14933.8797-0.1234-0.10270.0936-0.1617-0.04410.32340.05440.18050.16750.16990.0133-0.00290.3178-0.03610.36166.2577-25.8853-10.2516
310.24760.67620.3073.27630.31540.6014-0.0107-0.09370.17390.2785-0.2570.5073-0.0581-0.15110.26780.202-0.01440.12540.3262-0.07830.38594.7027-23.6809-1.2968
322.8087-3.64363.88085.197-4.61355.85770.36430.15570.17780.099-0.6737-0.01161.0871-0.32260.30950.8693-0.5740.22790.5991-0.08530.246412.0121-41.50118.8799
335.981-0.24474.9967.29723.44125.99880.02560.3906-0.40570.28210.4614-0.32170.16890.5666-0.4870.75440.1634-0.1050.0871-0.04130.239832.0092-48.881820.0386
340.0254-0.02240.12911.4854-0.3972.34290.03080.06920.02820.6048-0.1086-0.11660.53030.14950.07770.6470.043-0.04030.2550.01670.19129.7006-28.035624.6288
350.2699-0.0325-0.64652.7423-0.61632.0232-0.05850.01560.17210.42340.4646-0.32880.28650.1979-0.40610.36460.3105-0.14780.4981-0.12630.225133.9648-26.80812.3611
365.48432.63762.20011.37250.79571.61680.6140.2671-0.28690.3762-0.0941-0.03690.25030.6477-0.51990.68330.1271-0.19930.462-0.27060.322338.5932-28.122124.1542
370.18690.25480.65563.14021.37742.55580.20890.01220.090.7371-0.3113-0.39420.8563-0.13390.10250.7322-0.02030.03260.16940.11160.242524.8212-35.825717.8477
380.47050.22040.4760.98490.37810.74930.05170.12640.1420.5515-0.1550.27890.3451-0.05360.10340.6403-0.13840.10370.2270.01770.146816.7828-29.665421.4478
390.26970.31881.42651.65512.31298.76670.1483-0.0105-0.05880.4129-0.0710.24190.4857-0.2897-0.07740.5159-0.07990.07320.2003-0.00550.251810.7837-40.119318.8342
402.665-3.76183.86286.8134-3.35328.75040.0598-0.1346-0.22060.03960.12310.25340.1608-0.2209-0.18290.2468-0.05390.01640.2691-0.01390.34113.2574-40.8681-3.3019
413.5461.47860.42494.01360.69540.1777-0.0636-0.3660.1187-0.1273-0.06750.0098-0.0888-0.02340.1310.3784-0.022-0.04450.2365-0.00550.33289.176825.2433-73.4739
429.4162-2.6296.58822.7917-2.61964.9542-0.6134-0.30730.24440.09540.35210.0894-0.3907-0.31810.26120.2086-0.00030.03260.2225-0.03390.4639-4.613930.5576-72.2877
432.85264.206-1.25656.6015-0.0429.1568-0.0348-0.152-0.0776-0.0766-0.2001-0.0078-0.36160.21240.23490.3307-0.03450.03040.24960.00770.30811.586428.26-66.1081
440.2452-0.17130.47091.154-0.93231.28690.0268-0.07920.1614-0.085-0.12610.26630.14590.00670.09940.3383-0.0045-0.00610.2275-0.0240.37542.110425.7115-78.626
457.08833.02153.02184.55340.94281.32530.0814-0.04790.4610.1708-0.25420.27720.01940.00270.17280.32120.0131-0.02240.20190.0320.36451.945830.6793-80.2982
460.10960.3982-0.05221.6063-0.1411.0838-0.0234-0.01420.0297-0.254-0.04010.19440.0002-0.09520.06350.21370.0254-0.01560.2580.0010.27813.36042.819-72.2112
470.24261.10970.01176.1403-0.91691.3047-0.04280.0529-0.0225-0.45730.0883-0.0553-0.06110.0257-0.04540.32820.01590.03210.27430.00310.25258.707510.3831-81.8336
482.2343-2.038-1.66722.0411.64061.3266-0.0236-0.28370.1942-0.27410.201-0.1802-0.18740.186-0.17740.5761-0.059-0.01030.28170.03830.34319.772224.3845-78.983
490.78390.5619-0.76210.9392-0.48341.8526-0.0207-0.00560.0353-0.12170.0841-0.2952-0.12580.0522-0.06340.2155-0.02960.05470.2649-0.00180.351616.994911.3494-73.1398
502.08063.16430.32876.15760.13990.1752-0.0079-0.16050.0938-0.1765-0.1104-0.13020.02450.02190.11830.22190.00620.06110.3385-0.00730.368918.09763.9269-74.2769
512.7988-0.5953-0.23511.2572-0.34320.1879-0.1178-0.17550.02080.0938-0.0046-0.2804-0.00480.12930.12240.10190.00450.00240.35230.00960.364322.26166.6731-63.7989
522.1599-2.639-2.92635.31723.31334.00410.3851-0.10180.28380.1235-0.0688-0.6739-0.59180.1965-0.31630.2386-0.0501-0.0370.3168-0.01850.457321.002318.5781-60.9809
533.3501-2.97980.44862.7764-1.01553.1852-0.08810.10950.2380.2069-0.0468-0.1968-0.5664-0.27010.13490.52930.11810.16480.0682-0.04380.3031-3.580129.7443-47.0089
540.29430.1459-0.4891.06160.0831.3480.09910.1292-0.0190.32960.00320.2216-0.2199-0.0701-0.10230.32730.05020.09850.2625-0.01530.2723-4.77828.8525-44.2783
550.3946-0.0793-1.11010.43150.17393.79360.05140.1743-0.03150.17280.17970.3185-0.0679-0.2632-0.23120.20520.07260.11240.34350.02390.3619-11.61284.3201-46.3958
563.4249-3.66481.08134.0091-1.05910.4596-0.3978-0.4997-0.55660.19510.60160.6017-0.4087-0.108-0.20380.75720.01870.11710.32980.1160.2694-9.415317.3922-50.221
570.741-0.7194-1.00062.8170.02831.81220.10910.0635-0.070.3712-0.14070.0671-0.37180.03140.03160.39810.01670.01730.2259-0.04570.25141.430315.8551-46.8345
580.81020.5092-0.69111.5891-0.35730.62420.10670.0176-0.02660.3199-0.0855-0.2425-0.16310.02-0.02130.3868-0.0277-0.04130.263-0.01440.26449.773612.0539-45.64
590.8834-0.2757-1.13242.6014-1.20952.73320.0928-0.12450.09710.6982-0.1501-0.2792-0.4290.29210.05730.518-0.0951-0.09920.1824-0.06890.190911.461418.5834-40.2002
602.8846-0.249-4.88261.46720.34618.27830.0638-0.01640.0626-0.0020.0117-0.3813-0.1630.0197-0.07550.313-0.069-0.00180.22930.00680.379322.439924.5828-66.1488
610.2911-1.0032-0.08365.46270.42090.0335-0.03310.24340.0530.27320.0207-0.05420.0227-0.01510.01240.18380.02810.04670.57180.06460.306118.101119.587722.0272
628.8404-1.69384.14120.6997-1.30752.95720.34810.14080.3552-0.1903-0.2672-0.09640.33760.1718-0.08090.12960.06430.06260.34790.10540.509531.140724.195619.9984
630.6947-1.60191.33253.7378-3.14055.6951-0.09520.03520.02110.2570.0143-0.0131-0.12980.0310.08090.159-0.03350.04440.2733-0.0120.487814.389726.589920.1118
646.68940.39831.29722.4592.25262.20330.039-0.13250.2540.14860.0934-0.18350.18230.0809-0.13250.25680.01120.02110.3-0.010.375830.664417.786128.4985
655.2622-2.40271.93991.1423-0.50977.53780.01950.16450.9821-0.0821-0.106-0.3867-0.06420.3330.08650.33280.0721-0.0670.1355-0.07770.627.124326.771728.8391
663.3655-4.46771.19959.37570.48591.6951-0.0565-0.15130.17780.4553-0.0096-0.26430.1503-0.16280.06610.3246-0.0467-0.00370.2827-0.06390.285226.330612.350130.7386
670.073-0.3156-0.08891.78870.31561.24110.0106-0.01840.04570.1669-0.0473-0.09060.12410.13090.03670.166-0.00920.01020.28460.00250.267324.3727-4.948917.6739
681.4248-0.9775-0.19642.18920.69980.75660.0117-0.02420.03370.3340.02950.2647-0.00090.0107-0.04120.236-0.01570.08090.2735-0.02080.316114.88558.440627.6576
690.8583-0.1691-1.17331.9370.46911.64690.019-0.0120.0859-0.09110.07550.3025-0.034-0.0314-0.09450.11810.02390.01540.2971-0.00340.350710.12054.284617.9917
703.4784-3.3887-0.13335.96250.50840.15130.080.00450.06830.1537-0.11140.17060.1383-0.04070.03140.1871-0.02110.06240.3068-0.0030.346310.4399-2.37522.1302
713.05281.3524-0.08840.6523-0.22271.2242-0.18110.04810.2571-0.10430.07350.19460.0484-0.3610.10760.14090.0187-0.01820.2795-0.00290.43846.11121.803612.0145
724.32214.1429-5.39585.0581-4.77766.88960.23480.08630.3078-0.05890.01610.5907-0.4002-0.1756-0.25090.15840.0293-0.02240.30970.03980.44856.762613.015710.339
735.1432-1.1452-2.42921.97710.00072.5850.128-0.3070.3004-0.130.0385-0.047-0.24180.1346-0.16650.3822-0.11490.06420.2-0.03710.272931.817725.7653-3.5594
740.60370.4394-0.31831.0315-0.22451.6701-0.0121-0.0161-0.059-0.30290.1374-0.0456-0.2011-0.007-0.12530.2916-0.06620.04140.2334-0.00730.238632.45085.651-7.5601
750.26030.0166-0.46271.59580.17732.83050.021-0.1708-0.0588-0.26620.127-0.1965-0.22270.0976-0.1480.1936-0.05970.04520.26360.01030.270935.08422.4405-4.1256
762.0602-0.812-0.90432.6111-0.5691.90360.0832-0.0988-0.0705-0.2508-0.2337-0.1519-0.03460.27910.15050.2699-0.11280.12420.3544-0.04080.275442.33451.271-11.7132
770.2415-0.24050.85790.4117-1.04213.2591-0.05080.1498-0.05080.08890.0192-0.1322-0.30150.38520.03160.3804-0.15560.02610.3706-0.10960.336437.911612.4347-2.1854
781.26390.785-0.23622.86870.65650.32690.0725-0.1566-0.0549-0.3146-0.0996-0.0114-0.19520.03270.02720.3749-0.0503-0.01550.23890.02130.234426.995511.7566-4.7089
790.60740.0003-0.73311.59630.18180.9595-0.0243-0.07620.0249-0.44140.07530.3661-0.10090.0284-0.0510.3817-0.0127-0.08590.25350.03940.289819.58458.0153-9.302
800.7556-0.0404-2.11790.3466-0.04586.07560.1724-0.00410.0132-0.24970.01170.353-0.3696-0.1075-0.18410.34580.0516-0.13360.2290.03630.454110.394619.02961.9988
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A2 - 11
2X-RAY DIFFRACTION2A12 - 23
3X-RAY DIFFRACTION3A24 - 33
4X-RAY DIFFRACTION4A34 - 60
5X-RAY DIFFRACTION5A61 - 66
6X-RAY DIFFRACTION6A67 - 85
7X-RAY DIFFRACTION7A86 - 111
8X-RAY DIFFRACTION8A112 - 176
9X-RAY DIFFRACTION9A177 - 196
10X-RAY DIFFRACTION10A197 - 218
11X-RAY DIFFRACTION11A219 - 242
12X-RAY DIFFRACTION12A243 - 255
13X-RAY DIFFRACTION13A256 - 297
14X-RAY DIFFRACTION14A298 - 315
15X-RAY DIFFRACTION15A316 - 338
16X-RAY DIFFRACTION16A339 - 361
17X-RAY DIFFRACTION17A362 - 367
18X-RAY DIFFRACTION18A368 - 423
19X-RAY DIFFRACTION19A424 - 439
20X-RAY DIFFRACTION20A440 - 452
21X-RAY DIFFRACTION21B2 - 15
22X-RAY DIFFRACTION22B16 - 27
23X-RAY DIFFRACTION23B28 - 59
24X-RAY DIFFRACTION24B60 - 66
25X-RAY DIFFRACTION25B67 - 83
26X-RAY DIFFRACTION26B84 - 109
27X-RAY DIFFRACTION27B110 - 135
28X-RAY DIFFRACTION28B136 - 176
29X-RAY DIFFRACTION29B177 - 187
30X-RAY DIFFRACTION30B188 - 195
31X-RAY DIFFRACTION31B196 - 218
32X-RAY DIFFRACTION32B219 - 237
33X-RAY DIFFRACTION33B238 - 248
34X-RAY DIFFRACTION34B249 - 289
35X-RAY DIFFRACTION35B290 - 314
36X-RAY DIFFRACTION36B315 - 339
37X-RAY DIFFRACTION37B340 - 361
38X-RAY DIFFRACTION38B362 - 417
39X-RAY DIFFRACTION39B418 - 442
40X-RAY DIFFRACTION40B443 - 451
41X-RAY DIFFRACTION41C2 - 14
42X-RAY DIFFRACTION42C15 - 30
43X-RAY DIFFRACTION43C31 - 41
44X-RAY DIFFRACTION44C42 - 60
45X-RAY DIFFRACTION45C61 - 70
46X-RAY DIFFRACTION46C71 - 111
47X-RAY DIFFRACTION47C112 - 129
48X-RAY DIFFRACTION48C130 - 140
49X-RAY DIFFRACTION49C141 - 176
50X-RAY DIFFRACTION50C177 - 196
51X-RAY DIFFRACTION51C197 - 215
52X-RAY DIFFRACTION52C216 - 230
53X-RAY DIFFRACTION53C231 - 248
54X-RAY DIFFRACTION54C249 - 305
55X-RAY DIFFRACTION55C306 - 332
56X-RAY DIFFRACTION56C333 - 342
57X-RAY DIFFRACTION57C343 - 361
58X-RAY DIFFRACTION58C362 - 408
59X-RAY DIFFRACTION59C409 - 440
60X-RAY DIFFRACTION60C441 - 452
61X-RAY DIFFRACTION61D2 - 13
62X-RAY DIFFRACTION62D14 - 32
63X-RAY DIFFRACTION63D33 - 46
64X-RAY DIFFRACTION64D47 - 60
65X-RAY DIFFRACTION65D61 - 68
66X-RAY DIFFRACTION66D69 - 77
67X-RAY DIFFRACTION67D78 - 111
68X-RAY DIFFRACTION68D112 - 155
69X-RAY DIFFRACTION69D156 - 176
70X-RAY DIFFRACTION70D177 - 195
71X-RAY DIFFRACTION71D196 - 215
72X-RAY DIFFRACTION72D216 - 230
73X-RAY DIFFRACTION73D231 - 248
74X-RAY DIFFRACTION74D249 - 281
75X-RAY DIFFRACTION75D282 - 314
76X-RAY DIFFRACTION76D315 - 331
77X-RAY DIFFRACTION77D332 - 342
78X-RAY DIFFRACTION78D343 - 361
79X-RAY DIFFRACTION79D362 - 421
80X-RAY DIFFRACTION80D422 - 453

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