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- PDB-7e1i: Crystal structure of Pr55Gag-matrix domain in complex with IP6 at... -

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Basic information

Entry
Database: PDB / ID: 7e1i
TitleCrystal structure of Pr55Gag-matrix domain in complex with IP6 at ambient temperature in space group P1
ComponentsCapsid protein p24
KeywordsVIRAL PROTEIN / HIV-1 / Matrix protein / Myo-inositol hexakisphosphate / Serial femtosecond X-ray crystallography / Ambient-temperature crystallography
Function / homology
Function and homology information


viral nucleocapsid / host cell cytoplasm / viral translational frameshifting / host cell nucleus / structural molecule activity / RNA binding / cytoplasm
Similarity search - Function
: / gag protein p24 N-terminal domain / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retrovirus capsid, C-terminal / Retroviral matrix protein / Retrovirus capsid, N-terminal
Similarity search - Domain/homology
INOSITOL HEXAKISPHOSPHATE / Gag protein
Similarity search - Component
Biological speciesHuman immunodeficiency virus 1
MethodX-RAY DIFFRACTION / FREE ELECTRON LASER / FOURIER SYNTHESIS / Resolution: 3.301 Å
AuthorsDeMirci, H. / Destan, E.
Funding support United States, Turkey, 2items
OrganizationGrant numberCountry
National Science Foundation (NSF, United States)NSF-1231306 United States
Other government118C270 Turkey
CitationJournal: To Be Published
Title: Crystal structure of Pr55Gag-matrix domain in complex with IP6 at ambient temperature in space group P1
Authors: DeMirci, H. / Destan, E.
History
DepositionFeb 1, 2021Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Aug 4, 2021Provider: repository / Type: Initial release
Revision 1.1Mar 27, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
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: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
hetero molecules


Theoretical massNumber of molelcules
Total (without water)171,63124
Polymers163,71012
Non-polymers7,92012
Water00
1
A: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,9086
Polymers40,9283
Non-polymers1,9803
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,5687
Polymers40,9283
Non-polymers2,6404
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,2485
Polymers40,9283
Non-polymers1,3202
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,9086
Polymers40,9283
Non-polymers1,9803
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)96.600, 96.600, 91.100
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Capsid protein p24 / Matrix protein p17 / Nucleocapsid protein p7


Mass: 13642.536 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: gag / Production host: Escherichia coli (E. coli) / References: UniProt: T2CJ20
#2: Chemical
ChemComp-IHP / INOSITOL HEXAKISPHOSPHATE / MYO-INOSITOL HEXAKISPHOSPHATE / INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE


Mass: 660.035 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C6H18O24P6 / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interestY

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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: 4.5 Å3/Da / Density % sol: 72.65 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 20% (w/v) polyethylene glycol 3350 (PEG 3350) as a precipitant and 100 mM MES-NaOH

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Data collection

DiffractionMean temperature: 293 K / Serial crystal experiment: N
Diffraction sourceSource: FREE ELECTRON LASER / Site: SLAC LCLS / Beamline: CXI / Wavelength: 1 Å
DetectorType: CS-PAD CXI-1 / Detector: PIXEL / Date: Dec 1, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.3→25 Å / Num. obs: 35663 / % possible obs: 100 % / Redundancy: 62.3 % / CC1/2: 0.958 / Net I/σ(I): 2.67

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Processing

Software
NameVersionClassification
CrystFELdata reduction
PHENIXDEV-3318refinement
PDB_EXTRACT3.27data extraction
CrystFELdata scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 3.301→24.574 Å / SU ML: 0.78 / Cross valid method: THROUGHOUT / σ(F): 0.01 / Phase error: 52.71 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.4084 1159 3.25 %
Rwork0.3515 34504 -
obs0.3534 35663 83.43 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 425.17 Å2 / Biso mean: 173.641 Å2 / Biso min: 0.3 Å2
Refinement stepCycle: final / Resolution: 3.301→24.574 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11319 0 462 0 11781
Biso mean--98.58 --
Num. residues----1446
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.31-3.45070.5071070.4471298757
3.4507-3.63210.42881140.4333666
3.6321-3.85890.41071180.3752403077
3.8589-4.15550.38741360.3461431183
4.1555-4.57130.41921580.3363476292
4.5713-5.22720.37771880.3208493796
5.2272-6.56490.4111700.3754501497
6.5649-24.50.40981680.3328512799
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)
12.8147-0.651-3.74021.40431.35485.1742-0.5799-1.5927-0.19950.0493-0.3745-0.56330.84543.12890.41231.2732-0.0253-0.5411.6670.52962.640612.5595-9.856530.1346
28.4938-4.0879-2.26694.53184.65665.5299-1.08241.3302-0.8185-0.0634-0.59680.67681.60230.03060.1919-0.4756-0.39730.46011.6157-0.29950.76443.4069-19.146729.4811
30.68461.05970.37052.316-0.27371.28-0.1619-0.20220.3311-0.16330.3270.7254-0.89610.0311-0.23980.17470.76870.5930.6816-1.0069-0.0803-0.2909-3.17927.2047
42.7044-1.7210.75582.31721.16112.3705-0.4180.36031.08430.58981.1502-0.65680.65970.30890.03020.598-0.05010.13470.64490.21521.15381.48180.255839.423
51.96211.75862.62761.94891.81424.3417-0.4844-1.14860.29910.2916-0.69540.5586-0.2359-1.0104-0.52550.2163-0.2887-0.14611.16720.86352.903-2.5555-8.494537.8979
67.2756.34612.72625.83771.29864.83080.0787-0.0651-0.53830.6714-0.5225-0.48980.68070.1931-0.44271.2542-0.0693-0.69490.8659-0.37911.236410.3445-17.6239.7288
72.60420.0603-0.43866.1952-1.74821.2263-0.3455-0.33780.43490.42210.3106-0.1182-0.07730.27580.14421.0383-0.2396-0.88091.6067-1.94482.84152.3148-15.479144.923
88.2914-2.1235-5.08610.54821.30523.12240.977-2.51952.81353.54260.7173-1.9423-1.02261.7385-0.98314.5391-1.0092-1.63061.9854-0.78253.75885.2506-6.526960.8977
99.4899-1.7892-1.24595.4022-4.825.23180.1558-1.30611.56611.56930.59951.7374-1.2501-1.6436-0.4370.921-0.08350.06521.01730.15261.2722-12.681731.787130.2552
103.64492.1501-2.56424.44120.59343.1148-0.1238-0.0741-0.00710.5544-1.8992-0.86050.13031.96010.49420.6108-0.39850.54380.78321.45580.95290.144628.867529.9148
111.8791-1.4589-0.293.07251.53732.05090.48120.16850.01440.15030.4379-1.2593-0.37140.6766-0.35011.37220.0748-0.3005-0.09880.37840.1649-11.796417.283827.4156
124.9805-2.581-3.39293.03883.20433.598-1.73150.3319-1.06780.9092-0.151.0808-0.66460.61041.71470.96590.2902-0.30040.48710.19860.7046-15.877817.337939.4789
134.6244-1.81190.91043.6388-2.51479.4865-0.734-0.97462.30820.3877-0.21930.480.4377-1.18550.0460.60880.15790.2120.7152-0.82062.0145-6.440118.298437.8105
142.01570.80730.59640.86290.79241.3175-0.3352-0.35510.48210.011-0.80750.1092-0.1308-0.41110.36721.4066-0.8313-0.89420.7424-0.47311.0256-5.381533.776240.2154
150.85310.3182-0.50930.8909-0.72070.67150.0314-0.1798-0.18011.2337-0.38810.46350.4671-0.2934-0.35431.03770.57990.57621.8211-1.0639-0.2638-2.874925.761845.4225
161.03171.6843-0.04983.0368-0.61571.0798-0.3053-0.44520.59892.07320.36253.0596-0.5644-0.4316-0.47652.58191.3952-0.82050.0183-0.3633.0029-12.061923.998361.0539
171.21141.85572.08732.83483.20463.62971.1136-1.0478-0.98510.32191.07840.28790.6052-0.53180.54351.21860.54830.66211.34810.65561.4903-36.1563-10.699930.2619
182.7302-0.41113.0462.5246-1.0113.50250.2526-0.91530.3509-0.9941-0.2473-0.12-0.4733-1.14870.20381.6041-0.5564-0.4141-0.0884-1.4809-1.3853-39.90562.168929.4692
195.0235-1.4314-4.18787.70811.61074.09360.4549-0.09480.8290.182-0.0564-0.01320.33670.3073-0.00980.9171-0.7572-0.45331.8569-0.06821.1991-24.0537-2.951527.3107
201.8282-0.6729-0.24772.1874-0.09952.8560.0937-0.93430.0677-0.2691-0.5167-0.95120.392-0.45140.22530.20550.82770.8299-0.5309-1.63750.1651-22.157-6.284939.4359
213.46843.21390.373.71560.09532.72820.0908-0.39050.71620.9378-1.1096-0.071-0.3252-0.0660.26051.0042-0.30160.37460.6544-0.05923.7955-27.69761.60537.623
225.69032.01050.85234.72653.21616.3944-1.3740.2250.97530.1957-1.0859-0.59330.7408-0.77151.13771.8495-0.3477-0.35911.72660.05571.0671-41.8192-5.237240.2917
233.6138-1.5949-0.67661.2606-0.15410.5144-0.5053-0.5057-1.0536-0.325-0.4911-0.3758-0.1311-0.28810.14840.9171-0.4932-0.3941-0.1355-0.14281.4501-36.00621.22345.2234
242.80320.9748-0.82390.77130.16440.7081-0.0968-0.8418-1.5805-0.1268-0.1499-0.95580.31480.45180.68050.50130.16541.12382.11691.80994.3938-29.7073-6.400961.6848
253.44511.2348-0.83180.6843-0.75651.11240.1663-0.57770.897-0.0965-0.30491.53040.7329-1.0464-0.15241.8328-0.52620.11141.0341-0.56783.2726-36.951417.4117-15.4138
266.0749-1.31332.78810.79391.12247.3242-0.22051.57211.3068-0.80171.33030.024-1.6855-0.8051-0.52110.9608-0.3937-0.2991.32320.69221.2451-27.20826.9933-15.9726
270.7372-0.85480.13551.24520.30820.6578-0.1176-0.45731.47090.52620.45480.16030.6116-0.14990.18381.24832.1513-0.42580.86980.5011.1028-23.840410.9253-18.1594
283.9797-1.0347-1.79272.2162.77875.0177-1.07050.5016-2.60970.2226-0.58440.68470.6873-0.35090.92360.7676-0.15470.00560.4463-0.120.8048-25.77737.2884-6.1897
298.50713.06662.21464.1375-1.15983.14190.4159-1.73080.02421.56420.33590.4166-0.15670.4355-0.98970.9324-0.01890.01661.2165-0.63223.4482-21.835615.9556-7.8112
300.2605-0.1832-0.17860.26280.24760.7801-0.5079-0.12120.34990.1438-0.58420.5081-0.2332-0.5217-1.45141.09330.3697-0.90661.2281-1.386-0.3247-34.916924.543-5.6309
310.9868-0.16870.34291.35910.38690.2655-0.84150.423-0.07870.60260.7639-0.8232-0.48240.6195-0.04821.312-0.29640.707-0.16570.25831.9236-26.220423.1625-0.4029
324.9507-0.72461.63871.02940.7151.526-0.73991.064-1.6380.67090.11520.79220.60220.7010.79960.73380.15672.20611.3345-0.31124.3645-29.464513.848715.7272
331.8605-3.4447-1.45266.38092.72991.13890.73910.42171.69160.08240.3866-1.733-0.10140.11260.43530.7620.0373-0.35510.7580.21352.774411.635618.3662-15.358
343.91293.1285-2.96535.0077-1.05592.9281-0.6856-0.6952-1.0404-1.2504-1.5143-0.82450.80952.36860.84662.12090.52790.3690.81870.5660.940715.59125.3799-15.953
350.0853-0.009-0.0083-0.00440.0194-0.00260.1568-0.3764-1.6040.6283-0.29160.1117-0.04310.23470.34140.6148-0.18420.13431.28550.1010.9809-0.140610.3033-18.2621
365.43862.12411.96182.36832.48933.6856-0.2176-0.57450.91480.1976-0.3661.5662-0.9106-0.06190.14780.8495-0.06540.20310.2870.2481.0104-2.298213.9228-6.3539
373.92410.0054-2.79635.4837-1.77656.81850.1999-0.379-0.05821.2443-0.0791-0.11640.3764-0.09660.08450.8776-0.9817-1.5402-0.7153-0.52192.61293.32566.2314-8.1282
384.3039-1.272.33630.4064-0.76241.4618-0.6202-0.33740.6345-0.2237-0.57270.3565-0.6074-0.37050.38620.2592-0.4489-1.14062.20260.03530.625917.058512.774-5.3724
390.16450.35780.35640.76120.70830.6739-0.5981-1.28420.82320.19990.78270.6596-0.6398-0.20390.09112.84140.31860.24431.1166-0.5691.614511.80486.3449-0.3114
403.97510.08270.71993.4860.17633.3887-0.3996-1.7690.39510.54120.13312.22970.1269-1.31820.75790.5620.5783-0.21121.151-0.24412.02245.81513.05514.785
414.07941.26791.47380.4990.21851.13021.1324-0.8851-1.71350.3990.4391-0.99730.5852-0.30380.7211.0533-0.2462-0.1291.4130.72383.1091-11.5314-24.3326-15.2895
422.961.61161.71123.84011.84275.29880.0630.68970.0934-0.3125-0.48531.4978-0.1347-0.27170.36820.34990.3094-0.61671.8261-1.31222.431-24.564-21.1712-15.8179
433.4303-2.6067-1.55822.07440.47756.24470.4053-0.1550.5190.57490.2778-0.20410.25190.12140.23131.38340.0771-0.6150.6134-0.7811.3429-12.2922-9.8311-18.1926
440.397-0.07630.05584.6665-2.38792.4874-0.11630.4606-0.43150.1294-0.4614-0.69130.37481.007-0.44010.5019-0.0238-0.14681.3493-0.60810.4895-8.3697-9.7453-6.0317
458.772-0.8165-2.02118.38161.53968.6775-0.4108-0.22710.270.2509-0.2986-0.9775-0.92890.2987-0.39050.8621-0.1264-0.21930.90940.27331.7512-18.0111-10.7555-7.7794
460.9619-2.01511.26374.6091-3.13263.6664-0.5711-0.26810.3734-0.59650.14250.24120.0818-0.46850.19851.4276-0.273-0.45011.02930.37451.2271-18.8777-26.0287-5.1667
478.59716.2456-0.04115.2204-0.8541.01611.2207-1.28461.07970.1413-0.4992-3.1871-0.25530.5299-0.26480.50820.551-0.2620.1142-0.01252.5221-21.8893-18.15040.1094
480.15350.3803-0.18261.9473-0.5540.21210.4823-1.3872-0.5081.3745-1.2226-1.7772-0.21110.5040.41261.3011-0.1809-1.25241.8311.87514.2484-12.2776-16.351315.956
490.4284-0.22251.1951.217-1.03013.2649-0.3319-2.01021.01530.22351.23870.6195-0.0125-1.2096-0.0240.76730.35330.71511.9117-0.20312.2156-85.154518.286462.8443
503.1825-0.5937-1.68890.21780.7812.8054-0.56960.4339-1.19680.1076-0.5647-0.24961.01971.24020.68561.1129-0.05681.20681.8168-0.64820.8867-75.68138.595563.5002
513.6831-0.98991.0133.36683.65915.39580.4385-0.68761.1338-0.49090.1177-0.899-1.03960.7511-0.27621.2463-0.1228-0.04650.85420.33321.8383-71.843324.63666.0189
522.30141.1986-3.62446.05410.25469.87761.75920.16760.9239-0.6966-0.46261.15320.0588-2.0962-0.88120.2198-0.16030.55911.71410.8593-0.239-74.039827.872853.4547
536.7102-1.0708-1.59718.3590.85780.62460.4613-0.99980.493-0.94490.2411-2.8429-0.17470.43530.66690.432-0.05110.55980.5680.29620.4488-70.107419.061355.0619
542.84612.1080.63322.23870.60451.58610.1979-0.5772-0.69140.2171-0.5057-0.45530.14660.1292-0.11170.58-0.1688-0.75671.281.26572.847-82.510210.6252.5775
550.14770.33290.24330.86710.86671.71330.21850.1425-0.1627-1.1533-0.12620.7953-0.2577-0.6306-0.08571.18370.5765-0.83454.1013.02583.0423-74.927312.290947.9441
561.26730.7460.90752.02932.78133.8408-0.20230.6356-0.1402-0.1536-0.3840.4050.5583-1.13120.7773.13380.56610.26662.3567-0.54110.895-77.818221.074731.7359
571.18670.20131.24710.09430.76135.3059-0.03740.1681-1.82431.02941.6667-0.10562.69620.2274-0.60381.64530.0777-0.05990.7299-0.24891.5948-36.406816.776862.8718
580.12980.30140.29570.61080.64720.66960.8038-0.08161.2656-0.2037-0.5122-0.7771-1.9561.2642-1.49520.8547-0.13741.09591.9791.18210.4778-33.023729.986563.5539
594.2303-1.552-2.32723.4429-0.04523.79380.3444-0.63740.0139-0.23990.07490.6485-0.17230.07680.31980.19460.0924-0.20322.0332-0.643.5214-48.423525.339165.776
603.4933-2.67880.85442.0657-0.81393.6905-0.3215-0.9798-0.8891-0.12560.97541.68622.4139-0.6437-1.05231.63620.3703-0.7360.8870.09321.3696-50.320921.657453.6122
614.3562-3.3195-0.11178.11841.49852.54010.3785-0.06040.5345-0.21160.75960.8820.21660.7419-0.43860.8169-0.24120.47480.96620.43531.2191-44.836129.477555.236
620.5928-0.3322-0.03280.1982-0.0660.3922-0.5429-0.5003-0.55380.3191-0.1075-0.3584-0.11930.0891-0.57930.50662.48480.07921.1082-0.55371.8015-30.764222.776553.1478
633.05880.04321.28960.86880.38040.67120.90031.3378-0.888-0.1661-0.002-0.60640.42680.7866-0.53141.1522-0.0852-0.81311.2389-1.08352.7163-36.330628.727647.7452
643.01541.194-1.3625.7948-1.3421.1984-0.78050.158-0.0639-2.74240.4125-0.09621.0906-1.19550.22172.5189-0.6121-0.1963.81261.65852.0484-42.171621.926231.6498
656.52053.058-4.40512.4806-1.478.39580.3521-0.97611.7561-0.88050.7894-0.4375-1.87320.4703-0.82251.1645-0.41260.54341.20380.57312.6229-59.796759.855262.7768
661.1373-1.30532.90954.8619-5.088.2692-0.7257-0.08580.6125-0.37320.72562.2519-0.9661-3.5052-0.24591.12561.0692-1.00361.86850.14180.4985-72.797956.283363.5834
672.24470.7420.95774.0102-1.96921.75970.1431-1.15940.58721.32760.23610.08410.22510.3977-0.60831.2986-0.3382-0.15630.98490.03131.8673-60.571945.266465.7753
682.4422-0.12881.69531.60121.33992.39941.16420.907-1.1236-0.94050.2238-0.3506-0.5358-0.1127-0.35831.3114-0.69060.61131.0258-0.16951.9536-57.033445.443653.4235
697.47472.47110.52925.93662.33840.9239-0.2869-0.0324-2.7495-0.78430.39450.26270.6887-1.5803-0.35030.7495-0.1061-0.10631.77620.0420.7107-66.510746.360355.2891
703.6585-2.64422.82454.44281.33816.68460.8572-0.7980.24940.6039-1.66970.8712.0278-0.59090.65691.2320.35070.2260.9090.42841.5912-67.714261.366552.8712
711.1571-0.6883-0.49430.8566-0.68022.30490.31950.68720.8221-0.2288-0.26250.251-0.61520.3452-0.21181.3352-0.74762.19251.4608-0.4161.5424-70.081354.050547.6985
727.56220.50712.43631.81831.64995.1676-0.4973.290.1636-1.56090.33550.2178-0.59591.67180.02791.7893-1.217-0.75872.3084-0.55350.9449-61.103552.344931.8855
730.15350.68730.04334.92461.38830.8026-0.11650.04830.36330.81460.01011.5662-0.6783-0.95470.09381.8830.0488-0.16870.1683-0.31442.7513-36.188274.163417.0722
742.52740.62621.29020.18630.10521.75570.6525-0.6308-0.88220.0847-0.33730.20051.4584-2.008-0.40120.2237-0.8509-1.2740.8962-1.40781.7828-39.748461.08417.9771
751.7460.2130.48231.20691.51863.06440.0814-0.28830.5444-0.1370.6257-0.84980.0410.5011-0.02510.89970.0748-0.29631.12780.673.6103-23.86265.916820.2347
761.98122.5371-4.54145.78193.52975.9035-0.30841.23820.5907-0.5250.2948-1.4985-0.924-1.88240.03031.65480.31390.26840.69760.1961.4428-22.225669.46287.8877
779.2390.6977-1.57292.00730.87063.06890.28240.8178-2.2127-1.1733-0.6619-2.34691.8206-0.2814-0.35611.4509-0.0469-0.24310.7320.09910.287-27.833561.54769.3845
780.18790.33850.32950.60550.58440.56340.57370.4767-0.87370.00860.01970.17940.18960.09730.19721.85011.8170.56381.80531.13192.0946-41.57868.07277.3836
790.2735-0.0406-0.04890.0166-0.00490.08530.11650.56530.1621-0.126-0.2530.10360.0108-0.00960.31192.9136-0.76032.4951.25462.04053.3353-36.326762.4052.103
800.4585-0.15470.34740.0446-0.12090.2638-0.23870.00740.0998-0.65680.1313-0.0118-0.69910.36080.00963.5675-1.48861.11411.6965-0.30580.7813-30.164369.1081-13.9259
814.89523.54671.41973.1755-0.26193.27270.3658-0.5261-2.2288-0.69850.4233-0.19691.4953-1.44770.03210.5287-0.31890.27621.1676-0.26312.5497-13.049231.464217.4551
821.46580.6805-3.82980.3031-1.71479.9737-0.7397-0.5889-0.82890.11430.3253-2.78160.90342.34730.34231.2740.09760.45641.2955-0.56963.65570.488634.505318.0424
834.1021-2.47342.23683.0343-0.68441.51160.0843-0.1838-0.98550.74070.90520.22670.16960.5312-0.07180.80610.1310.61661.0787-0.35092.1606-11.762646.075520.0812
847.67225.4468-4.26923.9115-3.18454.95320.50740.3751.50590.44630.59181.23510.3075-1.2803-0.57640.7211-0.1835-0.27640.77090.5030.6062-15.759145.95777.7094
852.28761.0258-3.8098.4781-5.66898.3055-0.84070.50881.2143-1.09040.08141.32370.87451.1213-0.07640.50180.08420.08461.20620.34411.5094-6.260345.1439.4422
861.0048-0.50970.0891.0464-0.37790.22790.0364-0.09810.11160.10290.26370.135-0.0132-0.1492-0.09671.62080.5801-1.90590.76010.09812.0034-4.911629.59717.4132
870.4812-0.2361-0.1290.17130.00660.30480.41330.147-0.6201-0.2881-0.11680.09340.24190.4007-0.13481.8701-1.6415-2.02561.77040.7152.5705-2.763937.09192.3444
884.0078-0.0711-4.15415.8785-0.64714.398-0.19360.6119-0.0688-1.00360.1018-0.0311-0.0567-0.90730.00011.8291-0.4669-0.46191.99741.41260.4082-11.548639.4253-13.5188
892.4841-2.42130.22112.3915-0.51454.3546-0.0661-0.31441.07320.3611-1.3515-0.4-0.7132.00540.62920.7107-0.0768-0.03071.837-0.62962.541112.584172.998417.0325
904.3369-3.29453.34682.5947-2.60462.61370.4870.41461.88010.7065-0.72361.3403-3.4-0.85390.2152.26680.3440.34171.31430.67811.96172.953882.843917.592
910.00820.0385-0.31830.0458-0.45874.7828-0.5720.2934-2.36390.2593-0.28880.17061.53161.24820.13740.78920.11350.43640.95090.24332.6215-0.781466.457919.963
924.16160.6225-3.35450.9961-0.20583.84251.0192.0049-1.173-0.3160.640.3493-0.27651.8288-0.50510.8226-0.38250.24811.92-0.35691.02921.541163.25497.8171
932.104-0.188-0.51222.4521-0.42293.54210.02940.529-0.32570.13890.0512-0.34021.35531.3966-1.30130.3155-0.30280.60350.7231.3517-1.2067-2.488472.08879.6311
943.170.45150.231.31920.42994.41170.93030.0823-0.7339-0.1545-0.0048-0.00080.8130.0572-0.24940.60360.06520.29231.2033-0.44331.284310.08980.66457.2043
950.1198-0.1102-0.09190.07790.070.74140.04120.05860.2092-0.00080.3953-0.3496-0.12690.11080.2460.9614-0.03950.61942.1625-3.7382.78632.192579.16342.1185
966.96923.57581.90845.0604-0.31871.0504-0.2477-0.2081-0.1431-0.70690.74370.5444-0.17450.0896-0.40621.7883-1.03180.74452.6936-0.88393.18015.093970.4175-13.6131
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 17 )A2 - 17
2X-RAY DIFFRACTION2chain 'A' and (resid 18 through 30 )A18 - 30
3X-RAY DIFFRACTION3chain 'A' and (resid 31 through 42 )A31 - 42
4X-RAY DIFFRACTION4chain 'A' and (resid 43 through 64 )A43 - 64
5X-RAY DIFFRACTION5chain 'A' and (resid 65 through 89 )A65 - 89
6X-RAY DIFFRACTION6chain 'A' and (resid 90 through 95 )A90 - 95
7X-RAY DIFFRACTION7chain 'A' and (resid 96 through 106 )A96 - 106
8X-RAY DIFFRACTION8chain 'A' and (resid 107 through 122 )A107 - 122
9X-RAY DIFFRACTION9chain 'B' and (resid 2 through 17 )B2 - 17
10X-RAY DIFFRACTION10chain 'B' and (resid 18 through 30 )B18 - 30
11X-RAY DIFFRACTION11chain 'B' and (resid 31 through 42 )B31 - 42
12X-RAY DIFFRACTION12chain 'B' and (resid 43 through 64 )B43 - 64
13X-RAY DIFFRACTION13chain 'B' and (resid 65 through 89 )B65 - 89
14X-RAY DIFFRACTION14chain 'B' and (resid 90 through 95 )B90 - 95
15X-RAY DIFFRACTION15chain 'B' and (resid 96 through 106 )B96 - 106
16X-RAY DIFFRACTION16chain 'B' and (resid 107 through 122 )B107 - 122
17X-RAY DIFFRACTION17chain 'C' and (resid 2 through 17 )C2 - 17
18X-RAY DIFFRACTION18chain 'C' and (resid 18 through 30 )C18 - 30
19X-RAY DIFFRACTION19chain 'C' and (resid 31 through 42 )C31 - 42
20X-RAY DIFFRACTION20chain 'C' and (resid 43 through 64 )C43 - 64
21X-RAY DIFFRACTION21chain 'C' and (resid 65 through 89 )C65 - 89
22X-RAY DIFFRACTION22chain 'C' and (resid 90 through 95 )C90 - 95
23X-RAY DIFFRACTION23chain 'C' and (resid 96 through 106 )C96 - 106
24X-RAY DIFFRACTION24chain 'C' and (resid 107 through 122 )C107 - 122
25X-RAY DIFFRACTION25chain 'D' and (resid 2 through 17 )D2 - 17
26X-RAY DIFFRACTION26chain 'D' and (resid 18 through 30 )D18 - 30
27X-RAY DIFFRACTION27chain 'D' and (resid 31 through 42 )D31 - 42
28X-RAY DIFFRACTION28chain 'D' and (resid 43 through 64 )D43 - 64
29X-RAY DIFFRACTION29chain 'D' and (resid 65 through 89 )D65 - 89
30X-RAY DIFFRACTION30chain 'D' and (resid 90 through 95 )D90 - 95
31X-RAY DIFFRACTION31chain 'D' and (resid 96 through 106 )D96 - 106
32X-RAY DIFFRACTION32chain 'D' and (resid 107 through 122 )D107 - 122
33X-RAY DIFFRACTION33chain 'E' and (resid 2 through 17 )E2 - 17
34X-RAY DIFFRACTION34chain 'E' and (resid 18 through 30 )E18 - 30
35X-RAY DIFFRACTION35chain 'E' and (resid 31 through 42 )E31 - 42
36X-RAY DIFFRACTION36chain 'E' and (resid 43 through 64 )E43 - 64
37X-RAY DIFFRACTION37chain 'E' and (resid 65 through 89 )E65 - 89
38X-RAY DIFFRACTION38chain 'E' and (resid 90 through 95 )E90 - 95
39X-RAY DIFFRACTION39chain 'E' and (resid 96 through 106 )E96 - 106
40X-RAY DIFFRACTION40chain 'E' and (resid 107 through 120 )E107 - 122
41X-RAY DIFFRACTION41chain 'F' and (resid 2 through 17 )F2 - 17
42X-RAY DIFFRACTION42chain 'F' and (resid 18 through 30 )F18 - 30
43X-RAY DIFFRACTION43chain 'F' and (resid 31 through 42 )F31 - 42
44X-RAY DIFFRACTION44chain 'F' and (resid 43 through 64 )F43 - 64
45X-RAY DIFFRACTION45chain 'F' and (resid 65 through 89 )F65 - 89
46X-RAY DIFFRACTION46chain 'F' and (resid 90 through 95 )F90 - 95
47X-RAY DIFFRACTION47chain 'F' and (resid 96 through 106 )F96 - 106
48X-RAY DIFFRACTION48chain 'F' and (resid 107 through 122 )F107 - 122
49X-RAY DIFFRACTION49chain 'G' and (resid 2 through 17 )G2 - 17
50X-RAY DIFFRACTION50chain 'G' and (resid 18 through 30 )G18 - 30
51X-RAY DIFFRACTION51chain 'G' and (resid 31 through 42 )G31 - 42
52X-RAY DIFFRACTION52chain 'G' and (resid 43 through 64 )G43 - 64
53X-RAY DIFFRACTION53chain 'G' and (resid 65 through 89 )G65 - 89
54X-RAY DIFFRACTION54chain 'G' and (resid 90 through 95 )G90 - 95
55X-RAY DIFFRACTION55chain 'G' and (resid 96 through 106 )G96 - 106
56X-RAY DIFFRACTION56chain 'G' and (resid 107 through 122 )G107 - 122
57X-RAY DIFFRACTION57chain 'H' and (resid 2 through 17 )H2 - 17
58X-RAY DIFFRACTION58chain 'H' and (resid 18 through 30 )H18 - 30
59X-RAY DIFFRACTION59chain 'H' and (resid 31 through 42 )H31 - 42
60X-RAY DIFFRACTION60chain 'H' and (resid 43 through 64 )H43 - 64
61X-RAY DIFFRACTION61chain 'H' and (resid 65 through 89 )H65 - 89
62X-RAY DIFFRACTION62chain 'H' and (resid 90 through 95 )H90 - 95
63X-RAY DIFFRACTION63chain 'H' and (resid 96 through 106 )H96 - 106
64X-RAY DIFFRACTION64chain 'H' and (resid 107 through 122 )H107 - 122
65X-RAY DIFFRACTION65chain 'I' and (resid 2 through 17 )I2 - 17
66X-RAY DIFFRACTION66chain 'I' and (resid 18 through 30 )I18 - 30
67X-RAY DIFFRACTION67chain 'I' and (resid 31 through 42 )I31 - 42
68X-RAY DIFFRACTION68chain 'I' and (resid 43 through 64 )I43 - 64
69X-RAY DIFFRACTION69chain 'I' and (resid 65 through 89 )I65 - 89
70X-RAY DIFFRACTION70chain 'I' and (resid 90 through 95 )I90 - 95
71X-RAY DIFFRACTION71chain 'I' and (resid 96 through 106 )I96 - 106
72X-RAY DIFFRACTION72chain 'I' and (resid 107 through 122 )I107 - 122
73X-RAY DIFFRACTION73chain 'J' and (resid 2 through 17 )J2 - 17
74X-RAY DIFFRACTION74chain 'J' and (resid 18 through 30 )J18 - 30
75X-RAY DIFFRACTION75chain 'J' and (resid 31 through 42 )J31 - 42
76X-RAY DIFFRACTION76chain 'J' and (resid 43 through 64 )J43 - 64
77X-RAY DIFFRACTION77chain 'J' and (resid 65 through 89 )J65 - 89
78X-RAY DIFFRACTION78chain 'J' and (resid 90 through 95 )J90 - 95
79X-RAY DIFFRACTION79chain 'J' and (resid 96 through 106 )J96 - 106
80X-RAY DIFFRACTION80chain 'J' and (resid 107 through 122 )J107 - 122
81X-RAY DIFFRACTION81chain 'K' and (resid 2 through 17 )K2 - 17
82X-RAY DIFFRACTION82chain 'K' and (resid 18 through 30 )K18 - 30
83X-RAY DIFFRACTION83chain 'K' and (resid 31 through 42 )K31 - 42
84X-RAY DIFFRACTION84chain 'K' and (resid 43 through 64 )K43 - 64
85X-RAY DIFFRACTION85chain 'K' and (resid 65 through 89 )K65 - 89
86X-RAY DIFFRACTION86chain 'K' and (resid 90 through 95 )K90 - 95
87X-RAY DIFFRACTION87chain 'K' and (resid 96 through 106 )K96 - 106
88X-RAY DIFFRACTION88chain 'K' and (resid 107 through 122 )K107 - 122
89X-RAY DIFFRACTION89chain 'L' and (resid 2 through 17 )L2 - 17
90X-RAY DIFFRACTION90chain 'L' and (resid 18 through 30 )L18 - 30
91X-RAY DIFFRACTION91chain 'L' and (resid 31 through 42 )L31 - 42
92X-RAY DIFFRACTION92chain 'L' and (resid 43 through 64 )L43 - 64
93X-RAY DIFFRACTION93chain 'L' and (resid 65 through 89 )L65 - 89
94X-RAY DIFFRACTION94chain 'L' and (resid 90 through 95 )L90 - 95
95X-RAY DIFFRACTION95chain 'L' and (resid 96 through 106 )L96 - 106
96X-RAY DIFFRACTION96chain 'L' and (resid 107 through 122 )L107 - 122

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