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- PDB-6xhr: Crystal structure of S. aureus TarI (space group P1211) -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 6xhr
TitleCrystal structure of S. aureus TarI (space group P1211)
ComponentsRibitol-5-phosphate cytidylyltransferase 1
KeywordsTRANSFERASE / cytidylyltransferase
Function / homology
Function and homology information


D-ribitol-5-phosphate cytidylyltransferase / D-ribitol-5-phosphate cytidylyltransferase activity / poly(ribitol phosphate) teichoic acid biosynthetic process / 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase activity / isoprenoid biosynthetic process / cell wall organization
Similarity search - Function
Ribitol-5-phosphate cytidylyltransferase / : / 4-diphosphocytidyl-2C-methyl-D-erythritol synthase, conserved site / Cytidylyltransferase IspD/TarI / 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase / 4-diphosphocytidyl-2C-methyl-D-erythritol synthase signature. / Nucleotide-diphospho-sugar transferases
Similarity search - Domain/homology
THIOCYANATE ION / Ribitol-5-phosphate cytidylyltransferase 1
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsLi, F.K.K. / Strynadka, N.C.J.
Funding support Canada, 3items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR) Canada
Howard Hughes Medical Institute (HHMI) Canada
Natural Sciences and Engineering Research Council (NSERC, Canada) Canada
CitationJournal: J.Struct.Biol. / Year: 2021
Title: Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
Authors: Li, F.K.K. / Gale, R.T. / Petrotchenko, E.V. / Borchers, C.H. / Brown, E.D. / Strynadka, N.C.J.
History
DepositionJun 19, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 21, 2021Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2021Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.2Oct 18, 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

Downloads & links

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Assembly

Deposited unit
A: Ribitol-5-phosphate cytidylyltransferase 1
B: Ribitol-5-phosphate cytidylyltransferase 1
C: Ribitol-5-phosphate cytidylyltransferase 1
D: Ribitol-5-phosphate cytidylyltransferase 1
E: Ribitol-5-phosphate cytidylyltransferase 1
F: Ribitol-5-phosphate cytidylyltransferase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)175,25814
Polymers174,7936
Non-polymers4658
Water6,918384
1
A: Ribitol-5-phosphate cytidylyltransferase 1
B: Ribitol-5-phosphate cytidylyltransferase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,3814
Polymers58,2642
Non-polymers1162
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3990 Å2
ΔGint-25 kcal/mol
Surface area19790 Å2
MethodPISA
2
C: Ribitol-5-phosphate cytidylyltransferase 1
D: Ribitol-5-phosphate cytidylyltransferase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,4976
Polymers58,2642
Non-polymers2324
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4430 Å2
ΔGint-34 kcal/mol
Surface area20410 Å2
MethodPISA
3
E: Ribitol-5-phosphate cytidylyltransferase 1
F: Ribitol-5-phosphate cytidylyltransferase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)58,3814
Polymers58,2642
Non-polymers1162
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3670 Å2
ΔGint-27 kcal/mol
Surface area19980 Å2
MethodPISA
Unit cell
Length a, b, c (Å)50.522, 138.448, 110.114
Angle α, β, γ (deg.)90.000, 96.450, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 1 or (resid 2 and (name...
21(chain B and (resid 1 or (resid 2 and (name...
31(chain C and (resid 1 or (resid 2 and (name...
41(chain D and (resid 1 or (resid 2 and (name...
51(chain E and (resid 1 or (resid 2 and (name...
61(chain F and (resid 1 through 9 or resid 21...

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
11METMETMETMET(chain A and (resid 1 or (resid 2 and (name...AA11
12LYSLYSLYSLYS(chain A and (resid 1 or (resid 2 and (name...AA22
13METMETALAALA(chain A and (resid 1 or (resid 2 and (name...AA1 - 2361 - 236
14METMETALAALA(chain A and (resid 1 or (resid 2 and (name...AA1 - 2361 - 236
15METMETALAALA(chain A and (resid 1 or (resid 2 and (name...AA1 - 2361 - 236
16METMETALAALA(chain A and (resid 1 or (resid 2 and (name...AA1 - 2361 - 236
21METMETMETMET(chain B and (resid 1 or (resid 2 and (name...BB11
22LYSLYSLYSLYS(chain B and (resid 1 or (resid 2 and (name...BB22
23METMETGLYGLY(chain B and (resid 1 or (resid 2 and (name...BB1 - 2331 - 233
24METMETGLYGLY(chain B and (resid 1 or (resid 2 and (name...BB1 - 2331 - 233
25METMETGLYGLY(chain B and (resid 1 or (resid 2 and (name...BB1 - 2331 - 233
26METMETGLYGLY(chain B and (resid 1 or (resid 2 and (name...BB1 - 2331 - 233
31METMETMETMET(chain C and (resid 1 or (resid 2 and (name...CC11
32LYSLYSLYSLYS(chain C and (resid 1 or (resid 2 and (name...CC22
33METMETALAALA(chain C and (resid 1 or (resid 2 and (name...CC1 - 2361 - 236
34METMETALAALA(chain C and (resid 1 or (resid 2 and (name...CC1 - 2361 - 236
35METMETALAALA(chain C and (resid 1 or (resid 2 and (name...CC1 - 2361 - 236
36METMETALAALA(chain C and (resid 1 or (resid 2 and (name...CC1 - 2361 - 236
41METMETMETMET(chain D and (resid 1 or (resid 2 and (name...DD11
42LYSLYSLYSLYS(chain D and (resid 1 or (resid 2 and (name...DD22
43METMETALAALA(chain D and (resid 1 or (resid 2 and (name...DD1 - 2361 - 236
44METMETALAALA(chain D and (resid 1 or (resid 2 and (name...DD1 - 2361 - 236
45METMETALAALA(chain D and (resid 1 or (resid 2 and (name...DD1 - 2361 - 236
46METMETALAALA(chain D and (resid 1 or (resid 2 and (name...DD1 - 2361 - 236
51METMETMETMET(chain E and (resid 1 or (resid 2 and (name...EE11
52LYSLYSLYSLYS(chain E and (resid 1 or (resid 2 and (name...EE22
53METMETGLYGLY(chain E and (resid 1 or (resid 2 and (name...EE1 - 2331 - 233
54METMETGLYGLY(chain E and (resid 1 or (resid 2 and (name...EE1 - 2331 - 233
55METMETGLYGLY(chain E and (resid 1 or (resid 2 and (name...EE1 - 2331 - 233
56METMETGLYGLY(chain E and (resid 1 or (resid 2 and (name...EE1 - 2331 - 233
61METMETGLYGLY(chain F and (resid 1 through 9 or resid 21...FF1 - 91 - 9
62PROPROPROPRO(chain F and (resid 1 through 9 or resid 21...FF2121
63LYSLYSLYSLYS(chain F and (resid 1 through 9 or resid 21...FF2222
64METMETGLYGLY(chain F and (resid 1 through 9 or resid 21...FF1 - 2331 - 233
65METMETGLYGLY(chain F and (resid 1 through 9 or resid 21...FF1 - 2331 - 233
66METMETGLYGLY(chain F and (resid 1 through 9 or resid 21...FF1 - 2331 - 233
67METMETGLYGLY(chain F and (resid 1 through 9 or resid 21...FF1 - 2331 - 233

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Components

#1: Protein
Ribitol-5-phosphate cytidylyltransferase 1


Mass: 29132.209 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: tarI, SAOUHSC_00225 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q2G1C0, D-ribitol-5-phosphate cytidylyltransferase
#2: Chemical
ChemComp-SCN / THIOCYANATE ION


Mass: 58.082 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: CNS
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 384 / Source method: isolated from a natural source / Formula: H2O
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: 2.19 Å3/Da / Density % sol: 43.82 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / Details: 0.25 M sodium thiocyanate, 22.5% PEG3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.97949 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 10, 2018
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97949 Å / Relative weight: 1
ReflectionResolution: 2.1→47.71 Å / Num. obs: 85407 / % possible obs: 97.26 % / Redundancy: 3 % / CC1/2: 0.999 / Rpim(I) all: 0.03396 / Net I/σ(I): 13.23
Reflection shellResolution: 2.1→2.175 Å / Redundancy: 2.9 % / Mean I/σ(I) obs: 1.4 / Num. unique obs: 8348 / CC1/2: 0.695 / Rpim(I) all: 0.487 / % possible all: 96.45

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Processing

Software
NameVersionClassification
PHENIX1.16_3549refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 4JIS

4jis


Resolution: 2.1→47.706 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.34 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2415 4253 5 %
Rwork0.1977 80831 -
obs0.1995 85084 97.27 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 152.43 Å2 / Biso mean: 61.0383 Å2 / Biso min: 25.9 Å2
Refinement stepCycle: final / Resolution: 2.1→47.706 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10596 0 24 384 11004
Biso mean--59.4 51.86 -
Num. residues----1389
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3726X-RAY DIFFRACTION5.974TORSIONAL
12B3726X-RAY DIFFRACTION5.974TORSIONAL
13C3726X-RAY DIFFRACTION5.974TORSIONAL
14D3726X-RAY DIFFRACTION5.974TORSIONAL
15E3726X-RAY DIFFRACTION5.974TORSIONAL
16F3726X-RAY DIFFRACTION5.974TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.1-2.12390.3511380.3159262996
2.1239-2.14890.30821390.3045264397
2.1489-2.17510.37041400.2979265396
2.1751-2.20260.29021440.2773272797
2.2026-2.23160.34271380.3179262396
2.2316-2.26220.45131180.3887226983
2.2622-2.29450.40261370.3315264394
2.2945-2.32870.30241390.2645264597
2.3287-2.36510.30751410.2503267197
2.3651-2.40390.30031450.2345275497
2.4039-2.44530.27281390.2267264798
2.4453-2.48980.28581420.2331268897
2.4898-2.53770.2641440.2231274298
2.5377-2.58950.30551420.231269698
2.5895-2.64580.27341440.2338273899
2.6458-2.70730.27771420.2331269998
2.7073-2.7750.27711450.2274275499
2.775-2.850.29531440.2369272899
2.85-2.93390.28011430.2335270898
2.9339-3.02860.23621410.2317269698
3.0286-3.13680.25481460.2111276498
3.1368-3.26240.25891400.2247266098
3.2624-3.41080.29841450.2213274998
3.4108-3.59060.23251440.2006273998
3.5906-3.81540.22431410.1812267097
3.8154-4.10990.20841450.1608275299
4.1099-4.52320.16881450.1392275999
4.5232-5.1770.18641460.1322768100
5.177-6.51990.2311470.17342790100
6.5199-47.7060.18861490.1495282799
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)
11.8013-0.53151.96582.6676-0.48536.0368-0.1475-0.13540.1450.42060.0181-0.4692-0.26440.07970.14920.2117-0.0303-0.05040.2958-0.0080.3367.91351.138732.093
23.9261-0.3835-0.44174.5438-1.09268.2466-0.1703-0.04570.49910.37170.1153-0.1956-0.8841-0.0391-0.0030.32730.0134-0.0660.18040.01330.33554.606610.063330.4507
37.4576-1.61791.90593.6015-5.24887.9374-0.3414-0.0455-0.07030.10350.2415-0.0584-0.3663-0.40860.0410.28150.0524-0.01250.4990.00820.268-8.46225.615928.0481
43.0386-1.46210.16194.59970.71572.20160.10880.19680.0973-0.5934-0.0425-0.2078-0.17720.1079-0.07790.2268-0.05520.03660.32940.03340.23020.79060.165917.0449
51.2766-1.06861.47526.1642-5.10645.9617-0.0597-0.0308-0.328-0.12270.11490.32550.55-0.2038-0.0550.3167-0.0160.04590.3693-0.00740.36451.0779-21.628324.947
65.7751.1627-2.76397.15850.24992.912-0.2303-0.4831-0.65250.21010.10990.70360.2221-0.55510.10640.2438-0.0183-0.03640.52570.05160.383-12.6116-5.844825.2671
78.7695-1.23535.67313.1329-0.74674.5451-0.12330.2576-0.3878-0.07320.0969-0.32090.01580.11660.03310.2316-0.01660.04080.2132-0.00130.256810.1209-9.246224.4565
85.46813.6613-3.10685.0245-5.49338.6467-0.60560.445-0.1117-1.3623-0.1103-2.03791.13890.21210.64590.69870.12850.2430.4640.00090.822525.9446-32.562227.9267
97.6679-0.5985-1.81775.36492.29694.6967-0.290.06540.0633-0.28680.0538-1.23390.50240.36740.25960.59170.06470.11110.32540.07210.704627.9499-37.137129.2186
105.81913.1625-4.54587.9319-0.98974.01440.09490.2493-0.4434-1.0899-0.2917-1.64090.51130.19350.31510.59170.13830.13880.33310.08230.748928.0031-41.018627.7669
112.6636-2.0827-2.0225.0074-1.7524.8702-0.23690.588-0.4624-2.2993-0.2366-0.51641.5477-1.13040.07111.4381-0.16060.2480.4818-0.0480.498116.2225-46.817125.2047
121.6838-1.1771-0.32457.1639-0.74971.8452-0.2545-0.01-0.21970.09320.0862-0.20360.91880.01970.18030.6437-0.0029-0.00360.3008-0.00910.30414.8362-37.584837.3828
135.4492-6.23216.61647.41-6.38868.6986-0.26890.0277-0.12910.18070.1030.1855-0.084-0.10550.12290.3996-0.1420.06130.35-0.00130.41231.07-22.19726.5963
143.17211.97213.30186.56593.18764.1386-0.20870.3941-0.3031-0.667-0.02361.02891.2762-0.08740.19140.9222-0.18420.01430.3768-0.01410.58036.7708-45.780629.6485
157.5011-2.51914.88592.7152-3.67885.4113-0.84861.95130.3068-1.98960.17150.5808-0.15910.91320.62241.3511-0.4149-0.08010.85730.03940.56183.0461-39.744221.658
167.40913.2137-2.18375.3756-4.04315.7076-0.24050.1966-0.125-0.71860.0749-0.02450.5103-0.27570.12050.44180.05480.04510.23090.04850.36399.8716-28.995632.5041
174.9484-2.00645.06432.3408-1.42322.0107-0.3227-0.17450.9811-1.3439-0.7659-2.5987-0.9599-0.0930.78670.67190.09060.15320.49450.22551.109323.9498-16.573628.0041
183.15892.298-4.03182.9115-4.8258.9493-0.08390.4932-0.06980.4470.3320.31670.2549-0.8023-0.18851.1135-0.0690.06390.3573-0.00260.37216.1572-38.385356.9411
196.83315.487-6.41796.9831-3.21758.1395-0.4313-0.4579-0.5388-0.1904-0.196-0.69330.74490.84920.6320.69930.159-0.02850.39340.0390.431518.453-37.546162.9392
201.7616-0.0713-0.95942.0903-0.7124.1878-0.425-0.0227-0.4975-0.25310.1054-0.03191.7165-0.06050.31651.3167-0.03710.06550.390.00190.44668.9172-47.833661.5571
211.0119-0.0166-0.2592.57061.40441.1053-0.516-0.158-0.17140.00710.154-0.06311.0972-0.21890.29570.8363-0.06840.03880.35540.03810.33363.4759-40.155873.6762
223.8164-3.75423.27746.6418-6.82228.2934-0.40470.44540.289-0.23780.2671-0.16340.0757-0.12070.20870.5249-0.11230.0050.43310.01350.4483-1.878-21.498665.9915
233.2865-4.17724.13946.1433-6.13216.0588-0.2911-0.0534-0.03460.23250.27740.4884-0.2675-0.57810.00220.5863-0.0475-0.04350.44370.03180.4706-4.1346-18.253664.3554
244.36970.1785-1.05515.4394-0.80970.3759-0.4510.48440.2515-0.2740.05350.62121.2748-1.41570.09981.0166-0.52340.03750.8455-0.02710.5339-9.5284-39.195263.6508
256.03152.9229-3.36744.407-1.27093.12030.07170.06740.1618-0.30040.00220.0504-0.0976-0.2403-0.03910.7140.0298-0.04530.30750.01440.33483.0083-29.451370.0647
266.7605-4.18815.76853.4008-4.38345.7515-0.0705-0.70351.9952-0.0977-0.7895-1.11110.7312-0.04570.86740.80540.0451-0.04430.51080.03590.819119.6206-24.958264.6577
271.78381.8641-0.35223.4398-1.47855.2223-0.0345-0.1226-0.20110.4847-0.2722-0.3905-0.9622-0.08620.27320.67560.0177-0.14820.3058-0.01370.341613.7352-2.193569.202
283.2132-0.1222-0.24632.19672.5943.0853-0.38920.10650.73860.7631-0.1316-0.4424-1.67540.01980.22741.272-0.0865-0.23340.2410.01090.442914.74536.944467.8836
291.2368-1.54721.56692.48-1.73694.6868-0.24920.17670.90650.6121-0.0138-0.3814-1.60170.0280.29521.1804-0.0857-0.21530.30990.01750.485714.07678.113967.1736
301.8439-0.28640.83233.01680.45893.3171-0.3213-0.14040.34060.53630.2255-0.0688-1.1594-0.86120.03970.80040.1717-0.04340.43550.00260.3074.18783.422558.5477
313.40181.0262-2.86894.7699-6.35678.8943-0.0422-0.0012-0.54020.024-0.05530.22280.3095-0.52550.15650.4366-0.0096-0.10330.3821-0.01230.3439-1.6554-17.42962.5343
328.4496.871-6.6545.7886-6.04736.4683-0.44120.7858-0.1016-0.26030.43520.5860.2657-0.627-0.18080.54890.0014-0.0360.3624-0.01520.4659-4.0677-20.704664.0179
330.9939-1.0517-1.60033.63814.27595.2058-0.4817-0.3451-0.3941.09290.38920.8331-0.3817-1.91570.0660.81090.39050.12071.13470.1590.5078-8.0281.445263.9754
346.0756-0.75652.55512.7853-2.63988.04070.00950.0290.03430.07230.0634-0.03870.3102-0.6714-0.03010.458-0.0241-0.0480.2942-0.00360.30943.9342-9.899558.7833
354.10264.3473-6.0314.6965-6.53929.0916-0.76390.2503-0.9767-0.16680.0038-1.71310.19520.28410.77520.7514-0.040.02030.40690.00980.825319.8909-15.743365.5193
364.46311.09491.39072.8524.0525.792-0.3251-0.4666-0.34941.26070.179-0.38030.11540.2580.12280.76540.1478-0.16410.5734-0.05480.446123.0638-7.2342103.7681
373.4363-0.15362.31472.1369-0.35485.1278-0.1568-0.09090.2155-0.00290.0097-0.1709-0.69870.19830.16130.66180.012-0.10990.4384-0.02860.363519.14770.666899.6434
382.06481.3741-0.05875.29260.66890.98080.0083-0.26830.36290.8871-0.10640.734-0.2511-0.41550.10870.80590.1644-0.020.5394-0.07130.4490.0512-6.3418101.9035
397.4535-3.49483.87515.0397-3.69627.8371-0.0329-0.3368-0.29310.171-0.0717-0.29590.3654-0.1190.12560.5140.0089-0.09980.3146-0.03270.3612.2966-15.017299.3681
405.20920.4411-0.6769.0092-1.15893.2926-0.0773-0.0931-0.15561.150.1143-0.75-0.01560.2139-0.02150.65560.0325-0.03930.382-0.07190.4494.2649-39.810496.6626
415.04560.53350.35011.8186-0.61937.0904-0.2065-0.4651-0.40581.57310.14740.05820.3325-0.31970.03970.87320.01130.0170.3580.02940.45560.9369-48.50998.1727
428.50413.2364-3.69495.69081.17267.7588-0.3577-0.3495-0.43521.60730.1487-0.39260.7727-0.71910.13510.953-0.0684-0.04350.3112-0.03090.4591-0.4836-49.585899.0451
438.80462.0655-0.71325.205-6.5848.7799-0.1779-0.1506-0.88651.8474-0.80722.03610.5581-1.51820.58770.9549-0.12020.45240.8763-0.12640.9393-12.3432-44.983999.5928
442.2789-0.6024-0.13570.29940.27672.5918-0.1509-0.3506-0.48692.53390.0540.41590.2733-0.59350.02171.66580.06690.40960.71550.12570.6487-4.1915-38.2008110.7436
450.32580.6079-0.20447.1336-2.21850.6262-0.3305-0.09-0.06861.57490.16880.45040.0765-0.31920.24360.99040.15540.06230.5536-0.0950.4568-2.6733-17.1218102.7191
465.58272.11670.16448.7455-1.38698.61960.2181-0.36570.03481.15080.32822.1368-0.0449-1.6358-0.43050.8551-0.00060.43921.01050.06331.0145-16.4218-37.2183105.0412
472.0253-0.79192.13241.9805-3.30289.6082-1.67450.2841-0.24470.40420.97610.9693-0.8871-1.37950.80351.0170.03320.05631.15980.01890.9456-15.6182-29.622197.5585
488.07440.5655-4.6396.57161.60493.92860.4577-0.09740.41451.25720.18750.2595-0.8822-0.636-0.52481.13830.22620.04720.58370.13770.4158-1.2814-28.6661106.5688
496.6918-0.2558-0.89932.747-4.91769.0901-1.0670.27980.14061.9147-0.4304-3.4655-0.84350.44711.36080.93380.0386-0.36480.4599-0.0021.041815.6448-30.782499.9853
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 41 )A1 - 41
2X-RAY DIFFRACTION2chain 'A' and (resid 42 through 83 )A42 - 83
3X-RAY DIFFRACTION3chain 'A' and (resid 84 through 98 )A84 - 98
4X-RAY DIFFRACTION4chain 'A' and (resid 99 through 132 )A99 - 132
5X-RAY DIFFRACTION5chain 'A' and (resid 133 through 169 )A133 - 169
6X-RAY DIFFRACTION6chain 'A' and (resid 170 through 201 )A170 - 201
7X-RAY DIFFRACTION7chain 'A' and (resid 202 through 236 )A202 - 236
8X-RAY DIFFRACTION8chain 'B' and (resid 1 through 31 )B1 - 31
9X-RAY DIFFRACTION9chain 'B' and (resid 32 through 67 )B32 - 67
10X-RAY DIFFRACTION10chain 'B' and (resid 68 through 83 )B68 - 83
11X-RAY DIFFRACTION11chain 'B' and (resid 84 through 98 )B84 - 98
12X-RAY DIFFRACTION12chain 'B' and (resid 99 through 132 )B99 - 132
13X-RAY DIFFRACTION13chain 'B' and (resid 133 through 169 )B133 - 169
14X-RAY DIFFRACTION14chain 'B' and (resid 170 through 183 )B170 - 183
15X-RAY DIFFRACTION15chain 'B' and (resid 184 through 201 )B184 - 201
16X-RAY DIFFRACTION16chain 'B' and (resid 202 through 220 )B202 - 220
17X-RAY DIFFRACTION17chain 'B' and (resid 221 through 233 )B221 - 233
18X-RAY DIFFRACTION18chain 'C' and (resid 1 through 21 )C1 - 21
19X-RAY DIFFRACTION19chain 'C' and (resid 22 through 41 )C22 - 41
20X-RAY DIFFRACTION20chain 'C' and (resid 42 through 98 )C42 - 98
21X-RAY DIFFRACTION21chain 'C' and (resid 99 through 132 )C99 - 132
22X-RAY DIFFRACTION22chain 'C' and (resid 133 through 150 )C133 - 150
23X-RAY DIFFRACTION23chain 'C' and (resid 151 through 169 )C151 - 169
24X-RAY DIFFRACTION24chain 'C' and (resid 170 through 202 )C170 - 202
25X-RAY DIFFRACTION25chain 'C' and (resid 203 through 220 )C203 - 220
26X-RAY DIFFRACTION26chain 'C' and (resid 221 through 236 )C221 - 236
27X-RAY DIFFRACTION27chain 'D' and (resid 1 through 41 )D1 - 41
28X-RAY DIFFRACTION28chain 'D' and (resid 42 through 67 )D42 - 67
29X-RAY DIFFRACTION29chain 'D' and (resid 68 through 83 )D68 - 83
30X-RAY DIFFRACTION30chain 'D' and (resid 84 through 132 )D84 - 132
31X-RAY DIFFRACTION31chain 'D' and (resid 133 through 150 )D133 - 150
32X-RAY DIFFRACTION32chain 'D' and (resid 151 through 169 )D151 - 169
33X-RAY DIFFRACTION33chain 'D' and (resid 170 through 202 )D170 - 202
34X-RAY DIFFRACTION34chain 'D' and (resid 203 through 220 )D203 - 220
35X-RAY DIFFRACTION35chain 'D' and (resid 221 through 236 )D221 - 236
36X-RAY DIFFRACTION36chain 'E' and (resid 1 through 41 )E1 - 41
37X-RAY DIFFRACTION37chain 'E' and (resid 42 through 132 )E42 - 132
38X-RAY DIFFRACTION38chain 'E' and (resid 133 through 201 )E133 - 201
39X-RAY DIFFRACTION39chain 'E' and (resid 202 through 233 )E202 - 233
40X-RAY DIFFRACTION40chain 'F' and (resid 1 through 41 )F1 - 41
41X-RAY DIFFRACTION41chain 'F' and (resid 42 through 67 )F42 - 67
42X-RAY DIFFRACTION42chain 'F' and (resid 68 through 83 )F68 - 83
43X-RAY DIFFRACTION43chain 'F' and (resid 84 through 99 )F84 - 99
44X-RAY DIFFRACTION44chain 'F' and (resid 100 through 132 )F100 - 132
45X-RAY DIFFRACTION45chain 'F' and (resid 133 through 169 )F133 - 169
46X-RAY DIFFRACTION46chain 'F' and (resid 170 through 183 )F170 - 183
47X-RAY DIFFRACTION47chain 'F' and (resid 184 through 201 )F184 - 201
48X-RAY DIFFRACTION48chain 'F' and (resid 202 through 220 )F202 - 220
49X-RAY DIFFRACTION49chain 'F' and (resid 221 through 234 )F221 - 234

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