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- PDB-4qj2: Crystal structure of inactive HIV-1 protease variant (I50V/A71V) ... -

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Basic information

Entry
Database: PDB / ID: 4qj2
TitleCrystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with WT p1-p6 substrate
Components
  • Protease
  • p1-p6 peptide
KeywordsHYDROLASE / co-evolution / protease
Function / homology
Function and homology information


Synthesis And Processing Of GAG, GAGPOL Polyproteins / host cellular component / host cell nuclear membrane / Integration of viral DNA into host genomic DNA / Autointegration results in viral DNA circles / Minus-strand DNA synthesis / Plus-strand DNA synthesis / 2-LTR circle formation / Uncoating of the HIV Virion / Vpr-mediated nuclear import of PICs ...Synthesis And Processing Of GAG, GAGPOL Polyproteins / host cellular component / host cell nuclear membrane / Integration of viral DNA into host genomic DNA / Autointegration results in viral DNA circles / Minus-strand DNA synthesis / Plus-strand DNA synthesis / 2-LTR circle formation / Uncoating of the HIV Virion / Vpr-mediated nuclear import of PICs / viral budding via host ESCRT complex / Early Phase of HIV Life Cycle / Integration of provirus / APOBEC3G mediated resistance to HIV-1 infection / Binding and entry of HIV virion / Membrane binding and targetting of GAG proteins / Assembly Of The HIV Virion / Budding and maturation of HIV virion / host multivesicular body / viral nucleocapsid / aspartic-type endopeptidase activity / viral translational frameshifting / host cell plasma membrane / virion membrane / structural molecule activity / proteolysis / RNA binding / zinc ion binding / membrane
Similarity search - Function
Gag protein p6 / Gag protein p6 / : / gag protein p24 N-terminal domain / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain ...Gag protein p6 / Gag protein p6 / : / gag protein p24 N-terminal domain / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Retrovirus capsid, C-terminal / Retroviral matrix protein / Cathepsin D, subunit A; domain 1 / Acid Proteases / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Aspartic peptidase domain superfamily / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
PHOSPHATE ION / Protease / Gag polyprotein
Similarity search - Component
Biological speciesHuman immunodeficiency virus 1
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.13 Å
AuthorsLin, K.H. / Schiffer, C.A.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2014
Title: Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Authors: Ozen, A. / Lin, K.H. / Kurt Yilmaz, N. / Schiffer, C.A.
History
DepositionJun 3, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 29, 2014Provider: repository / Type: Initial release
Revision 1.1Nov 26, 2014Group: Database references
Revision 1.2Dec 3, 2014Group: Database references
Revision 1.3May 31, 2017Group: Structure summary
Revision 1.4Feb 28, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Protease
B: Protease
C: Protease
D: Protease
F: p1-p6 peptide
G: p1-p6 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,9459
Polymers45,6626
Non-polymers2833
Water4,954275
1
A: Protease
B: Protease
G: p1-p6 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,0195
Polymers22,8313
Non-polymers1882
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5600 Å2
ΔGint-28 kcal/mol
Surface area9660 Å2
MethodPISA
2
C: Protease
D: Protease
F: p1-p6 peptide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,9264
Polymers22,8313
Non-polymers951
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5770 Å2
ΔGint-48 kcal/mol
Surface area9570 Å2
MethodPISA
Unit cell
Length a, b, c (Å)52.185, 63.341, 58.769
Angle α, β, γ (deg.)90.00, 98.27, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein / Protein/peptide , 2 types, 6 molecules ABCDFG

#1: Protein
Protease


Mass: 10828.831 Da / Num. of mol.: 4 / Mutation: Q7K, N25D, I50V, A71V
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: pol / Plasmid: pXC35 / Production host: Escherichia coli (E. coli) / Strain (production host): Tap106 / References: UniProt: O38710
#2: Protein/peptide p1-p6 peptide


Mass: 1173.325 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Human immunodeficiency virus 1 / References: UniProt: P04591*PLUS

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Non-polymers , 4 types, 278 molecules

#3: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#4: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 275 / 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: 2.1 Å3/Da / Density % sol: 41.57 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.2
Details: ammonium sulfate, sodium citrate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å
DetectorType: RIGAKU SATURN 944 / Detector: CCD / Date: Oct 18, 2012
RadiationMonochromator: Ge(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.5418 Å / Relative weight: 1
ReflectionResolution: 2.14→50 Å / Num. all: 69174 / Num. obs: 20171 / % possible obs: 94.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rsym value: 0.033 / Net I/σ(I): 27.39
Reflection shellResolution: 2.14→2.22 Å / Redundancy: 3.4 % / Mean I/σ(I) obs: 8.46 / Num. unique all: 1987 / Rsym value: 0.086 / % possible all: 92.3

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
REFMAC5.7.0032refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.13→24.98 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.901 / SU B: 10.482 / SU ML: 0.151 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.336 / ESU R Free: 0.226 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.23841 1026 5.1 %RANDOM
Rwork0.18349 ---
obs0.18626 19120 94.19 %-
all-69174 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 26.926 Å2
Baniso -1Baniso -2Baniso -3
1--0.58 Å20 Å2-0.48 Å2
2--0.22 Å2-0 Å2
3---0.41 Å2
Refinement stepCycle: LAST / Resolution: 2.13→24.98 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3190 0 16 275 3481
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.0193286
X-RAY DIFFRACTIONr_bond_other_d0.0010.023374
X-RAY DIFFRACTIONr_angle_refined_deg1.4631.994459
X-RAY DIFFRACTIONr_angle_other_deg0.75237764
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.465416
X-RAY DIFFRACTIONr_dihedral_angle_2_deg38.47624.701117
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.69415591
X-RAY DIFFRACTIONr_dihedral_angle_4_deg11.8411518
X-RAY DIFFRACTIONr_chiral_restr0.080.2525
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0213626
X-RAY DIFFRACTIONr_gen_planes_other0.0010.02680
X-RAY DIFFRACTIONr_mcbond_it0.751.5221673
X-RAY DIFFRACTIONr_mcbond_other0.751.5211672
X-RAY DIFFRACTIONr_mcangle_it1.2652.2742086
X-RAY DIFFRACTIONr_mcangle_other1.2652.2762087
X-RAY DIFFRACTIONr_scbond_it0.7551.6451613
X-RAY DIFFRACTIONr_scbond_other0.7551.6451613
X-RAY DIFFRACTIONr_scangle_other1.1722.4252374
X-RAY DIFFRACTIONr_long_range_B_refined4.53412.7793538
X-RAY DIFFRACTIONr_long_range_B_other4.53412.7853539
LS refinement shellResolution: 2.13→2.185 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.245 67 -
Rwork0.199 1341 -
obs-1987 87.29 %
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)
11.8190.0631-3.55975.0672-2.030711.38450.07880.1828-0.2079-0.1227-0.09440.15970.1787-0.43690.01560.0395-0.007-0.02950.1049-0.020.0784-32.1657-13.54230.5652
213.961.1035-4.12590.74910.22622.67390.07920.34810.2881-0.058-0.05850.14620.0361-0.1298-0.02070.07410.0009-0.01230.0952-0.00490.1111-40.0464-6.6187-2.3567
35.73490.3853-6.67166.7598.821820.5240.16440.3919-0.21890.2663-0.82790.32850.0831-1.54690.66350.0428-0.0146-0.05320.25710.1040.4012-53.1926-3.1307-0.8957
412.0172-1.88884.64083.35541.24143.08160.08770.3899-0.4442-0.20960.02850.1865-0.02310.2075-0.11610.2049-0.0325-0.01330.07780.01110.0704-40.6876-3.227-1.0499
53.9032-2.1061.45642.1546-1.69031.34730.13360.1044-0.1976-0.0943-0.04220.13840.07430.0438-0.09140.10410.0128-0.00830.1019-0.01180.0746-38.99254.13163.0351
617.6377-5.0563-6.66559.99075.63864.14630.07080.19480.0745-0.3011-0.15730.3281-0.1605-0.10580.08650.07810.00120.00540.06780.06070.14-52.50067.8567-1.439
725.25348.4191-3.639614.2964-3.43517.71080.277-0.69670.64240.5976-0.15010.4166-0.405-0.0731-0.12690.06390.0287-0.01120.0718-0.02270.1074-50.756315.86766.0377
814.822-7.7566-3.22729.79342.92614.2329-0.2044-0.0601-0.14570.0987-0.0547-0.12450.15340.04070.2590.0829-0.00360.02220.03290.02350.0974-34.999913.75760.4226
97.26072.5917-7.27382.4087-4.07058.75330.1545-0.02570.0132-0.0193-0.10460.0593-0.0820.1183-0.04990.09920.024-0.00620.0357-0.02590.1356-46.503313.14352.5257
105.0541-3.9631-1.2520.75537.525611.0162-0.2623-0.33420.01880.36860.2924-0.0993-0.16960.0419-0.03010.03750.0031-0.00630.10.02310.0757-51.0863.78039.1444
1111.0126-0.4107-9.51223.66-5.591117.9189-0.0197-0.1046-0.8754-0.6363-0.11180.42441.05650.25260.13150.17430.0092-0.00260.0944-0.07250.3944-46.7524-8.87216.1911
127.14185.6246-4.323322.6701-5.74524.6132-0.0037-0.0813-0.27420.3729-0.05430.17340.1538-0.12120.0580.094-0.0202-0.04520.14090.01970.0562-48.71750.36289.7111
134.61210.01680.8871.2748-3.08457.668-0.06310.1233-0.12110.081-0.0145-0.0074-0.24450.20690.07760.1024-0.0348-0.00290.06980.00070.1024-41.73997.5119-3.1624
140.87831.37281.42992.17312.64888.731-0.11180.02930.0427-0.10950.00030.0791-0.57710.24170.11150.10040.0341-0.00610.0827-0.02310.1106-39.17761.24314.9329
151.67013.48520.70518.7367-6.699111.8656-0.103-0.370.08180.05150.3770.629-0.0244-0.7601-0.2740.06770.04270.04210.20970.01780.1093-41.0663-3.779511.672
1625.193-6.2546-8.14836.47062.16543.1185-0.248-0.31390.05040.36720.069-0.0578-0.05130.25140.1790.1095-0.0269-0.04010.09470.03050.1226-29.6097-9.659510.5675
178.4294-10.4854-3.431614.21752.91452.9761-0.2783-0.33380.01740.37880.2249-0.07220.13980.3250.05340.156-0.0831-0.05440.15430.01090.0615-31.1646-5.474615.1684
1817.9991-2.12920.41830.2609-0.10230.5581-0.0341-0.3150.08790.0233-0.0104-0.02110.0050.15060.04450.1377-0.0547-0.02450.11260.01350.0619-26.53182.008612.0653
1921.8825-0.6231-12.41716.77397.635917.2438-0.074-0.3539-0.40840.20140.2454-0.52560.19580.4625-0.17140.08490.017-0.01490.0311-0.02390.089-11.51-0.60926.6258
2014.07682.3882-4.06236.5593-1.17357.1036-0.02130.10160.66630.04160.1111-0.2184-0.30580.2111-0.08980.1084-0.0353-0.00560.0273-0.00380.0548-14.3513.71078.1009
214.451.46814.70571.72431.00125.2236-0.0485-0.00620.1210.1258-0.04490.096-0.09590.02270.09340.0680.0302-0.00560.0960.00640.0964-27.91-1.29853.2206
229.97553.23644.60424.6153-0.94653.7958-0.0080.01290.06630.1141-0.01950.0344-0.09440.03280.02750.1-0.01280.04560.0772-0.01520.0383-21.53232.3808-2.192
234.8907-1.4655-6.12675.83054.63429.12790.1729-0.2453-0.1819-0.22470.013-0.6988-0.32870.2832-0.18590.0876-0.02180.01380.1101-0.00390.1323-9.93566.4448-3.1716
2423.4172-3.9775.79423.6587-2.59422.30370.19120.41450.0501-0.2278-0.2367-0.09170.14620.18650.04540.11060.00530.01190.0854-0.00630.0556-15.02883.936-13.536
259.335-4.5773-8.36752.26944.10247.5039-0.0648-0.22030.15450.12990.1379-0.09640.09390.1838-0.07310.2499-0.0034-0.06270.122-0.03660.1574-30.47658.3464-7.5832
2613.7873-4.99961.10095.04130.86781.3156-0.04090.32670.5104-0.0672-0.0207-0.273-0.09910.12780.06160.07730.01280.01170.06370.01770.0363-17.41146.0515-9.325
274.93730.23465.14985.0753-5.271223.03260.13320.2642-0.2085-0.2281-0.0845-0.1140.28010.0888-0.04870.06540.00040.00150.0611-0.00490.1165-11.92-4.9335-4.1656
2811.16510.7231-5.48269.058-0.41668.20540.2702-0.89070.35080.38570.3002-0.34270.23560.3555-0.57050.1185-0.0034-0.02650.1135-0.01660.08-14.83-8.56347.6263
290.0101-0.002-0.0860.00630.08871.6086-0.03630.01550.00530.00490.00070.00420.21350.03910.03570.1071-0.0197-0.010.07170.0020.131-16.1009-1.6445-3.9266
301.62383.7794-1.06399.8615-4.31883.93390.0830.00510.23680.4610.06020.5766-0.4216-0.1303-0.14320.11510.02370.02990.0469-0.01290.1767-22.70725.62691.4295
310.81-0.1846-1.01366.6314-1.86311.9352-0.03650.0299-0.07470.1544-0.1455-0.26490.00150.01820.1820.05850.01750.00460.1104-0.010.0919-22.8689-8.6639-0.0837
325.15-2.8536-7.65743.74842.417412.9255-0.25440.3255-0.27140.0779-0.1340.12720.3856-0.54160.38840.0962-0.01560.0080.08310.01190.1305-32.9041-11.88687.2297
330.88931.44142.64032.45184.32397.8605-0.41240.22360.2036-0.16740.05540.2345-0.63110.61620.35710.4914-0.3174-0.17420.21160.13370.3992-50.391722.543232.7398
3415.0007-1.00372.55020.213-1.00935.3356-0.17270.25560.6867-0.00090.0351-0.0544-0.0529-0.13830.13760.1606-0.03360.01340.06720.00540.1204-45.344717.03926.5355
3520.7825-8.175-5.45886.9286-0.526710.00140.1534-0.40.2695-0.1883-0.0715-0.4206-0.03230.4238-0.08190.0696-0.0531-0.01570.14-0.01970.1038-30.346511.121929.162
3621.9668-1.2473-8.19160.2819-0.32155.98760.26580.30850.69970.0429-0.0608-0.0551-0.3230.0271-0.2050.202-0.04520.01310.07750.01840.0843-39.261913.102327.28
375.86430.71790.07193.75190.28840.0296-0.09490.3630.09310.26470.0318-0.63670.0321-0.02370.06310.1052-0.01290.00170.1117-0.01980.1837-48.17985.246934.6771
388.21720.3731-8.25653.88083.484324.2546-0.26060.2618-0.0794-0.25540.23910.158-0.1402-0.02870.02150.0637-0.0061-0.02440.03680.00670.0702-38.35743.297126.5177
391.3750.81372.45715.4414-4.829912.54080.11390.0486-0.2713-0.16290.1502-0.23870.22230.1991-0.2640.1218-0.0775-0.03260.2420.02830.1527-28.3377-0.539530.2144
4025.48782.64783.84173.66411.052.5750.1643-0.6991-0.04280.4411-0.0583-0.0890.2139-0.0367-0.1060.12410.0095-0.01330.04050.00070.087-36.9589-8.254632.0729
4112.32-4.47823.27616.09760.06071.62270.02190.02510.074-0.29390.00470.0055-0.2367-0.1588-0.02660.12940.0208-0.0060.13550.02220.0793-49.649-3.874826.7747
427.74662.862.73371.07211.01680.96870.14070.1738-0.20660.0682-0.0173-0.08590.05920.0441-0.12350.1025-0.00570.00010.10380.00680.0846-36.2161-4.522430.0722
433.31510.26220.97571.3151.9723.0617-0.2124-0.04130.1870.28550.1351-0.01720.360.08570.07730.23730.01690.00930.09430.01170.0862-32.81827.507636.8647
4415.6565-5.32964.750411.88134.81375.55050.12070.59161.1274-0.1733-0.542-0.1611-0.0240.00360.42130.0595-0.0472-0.0240.13410.09070.3418-35.156516.489737.8173
451.99820.19380.89120.02590.18262.41890.0542-0.0748-0.2159-0.00450.0449-0.0238-0.00820.0744-0.09920.0915-0.00720.00080.1132-0.00930.0789-36.97851.537732.2977
461.5515-0.17180.84694.0631-1.48720.9475-0.1723-0.08780.0958-0.25830.13970.1079-0.0236-0.11170.03260.14260.0546-0.02320.1552-0.01240.0896-43.1636.570526.9387
475.01591.24292.58996.08584.81274.35090.0121-0.1412-0.1071-0.30010.1246-0.1909-0.21770.0319-0.13670.0799-0.0010.00750.10410.02950.0771-42.72199.383340.4319
4824.6202-12.195413.02338.5148-6.92086.9786-0.4422-0.32950.02070.21430.42820.0169-0.2417-0.22760.0140.14120.0133-0.01910.1225-0.06210.0889-53.195117.13141.0646
494.5479-8.63172.199416.4356-4.23621.1876-0.4789-0.1429-0.27631.160.33550.4475-0.3753-0.10270.14350.26460.0447-0.0690.184-0.03660.3477-51.733812.236145.0531
5012.8885-2.7593-0.11061.3451-0.79020.8808-0.0915-0.315-0.3822-0.12090.1580.17590.1692-0.067-0.06640.1462-0.01180.01950.12790.02020.1054-57.63665.708540.9131
5116.919314.11115.31116.3931-3.221314.32620.3373-0.40790.41840.3772-0.08130.5876-0.0747-0.5396-0.2560.1012-0.00480.05590.0972-0.03110.1386-72.57917.881335.1313
5217.24652.9577-0.1810.51360.00151.48390.0628-0.6032-0.06480.0449-0.1015-0.00710.23140.13060.03870.18660.0060.01430.08720.01490.0546-63.62225.704937.0161
530.621.97960.06796.3567-0.05162.1048-0.11970.0580.0099-0.29580.13120.02770.17390.0789-0.01150.0654-0.0238-0.00630.1309-0.0210.0585-56.46810.042827.6225
5411.60682.2831-4.04364.4430.12666.65040.06830.2012-0.2630.1834-0.20750.12330.70430.2110.13920.19890.0009-0.02680.06620.01290.056-68.75220.810627.3302
556.55792.6784-4.19394.08242.647420.9484-0.16990.23870.2953-0.2670.05610.0375-0.1961-0.54240.11380.03860.0204-0.02560.06670.00160.0872-73.96327.25219.0015
5619.2485-2.84946.72390.66610.23758.5744-0.14980.5291.1028-0.0147-0.0954-0.1955-0.25210.01380.24520.11010.00650.04470.08630.0390.1477-62.29445.335515.3777
574.40851.67544.56745.8862-1.0036.16110.01460.2758-0.05050.3465-0.0838-0.2395-0.16850.38970.06930.11150.02130.00880.09460.01220.09-52.69140.498220.6558
589.0842-5.92792.180910.8385-0.84943.79840.11280.2967-0.0329-0.1175-0.04-0.17110.1635-0.1971-0.07280.0388-0.0308-0.01060.0972-0.02310.0358-67.08195.747519.0348
5911.0015-1.77844.9155.3487-1.28236.1880.1442-0.05620.09690.21650.11770.2331-0.4098-0.002-0.26190.0455-0.01020.01980.0107-0.00320.1244-70.957914.272229.4929
6010.5504-7.7616-3.112719.226210.07045.5092-0.1207-1.13010.58560.49250.5034-0.52960.20190.1797-0.38260.1672-0.0020.01530.2494-0.06750.1798-67.335217.222537.1865
614.0001-1.3166-0.8160.71431.0452.3246-0.0011-0.00060.2708-0.06640.0649-0.1029-0.19170.0635-0.06380.094-0.0184-0.0120.1104-0.00450.0586-66.3179.811824.5968
623.7532-1.3306-0.49173.71895.510513.2097-0.0149-0.1633-0.13940.22960.0924-0.28410.3950.4468-0.07750.0983-0.0083-0.01980.07720.01780.1101-60.18610.898729.5425
634.0907-3.08650.33615.34340.11940.0738-0.0783-0.13660.20650.12020.01960.18150.0003-0.02480.05860.06040.0103-0.01520.1126-0.01360.0727-59.763816.592830.8333
6413.95770.591315.8221.06833.077423.5168-0.36640.410.7682-0.0970.0926-0.234-0.67290.64160.27380.1814-0.0365-0.0390.1059-0.05840.1721-48.953419.495738.1418
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 7
2X-RAY DIFFRACTION2A8 - 13
3X-RAY DIFFRACTION3A14 - 19
4X-RAY DIFFRACTION4A20 - 25
5X-RAY DIFFRACTION5A26 - 34
6X-RAY DIFFRACTION6A35 - 39
7X-RAY DIFFRACTION7A40 - 44
8X-RAY DIFFRACTION8A45 - 54
9X-RAY DIFFRACTION9A55 - 59
10X-RAY DIFFRACTION10A60 - 64
11X-RAY DIFFRACTION11A65 - 69
12X-RAY DIFFRACTION12A70 - 75
13X-RAY DIFFRACTION13A76 - 82
14X-RAY DIFFRACTION14A83 - 88
15X-RAY DIFFRACTION15A89 - 94
16X-RAY DIFFRACTION16A95 - 99
17X-RAY DIFFRACTION17B1 - 6
18X-RAY DIFFRACTION18B7 - 11
19X-RAY DIFFRACTION19B12 - 17
20X-RAY DIFFRACTION20B18 - 22
21X-RAY DIFFRACTION21B23 - 28
22X-RAY DIFFRACTION22B29 - 34
23X-RAY DIFFRACTION23B35 - 39
24X-RAY DIFFRACTION24B40 - 46
25X-RAY DIFFRACTION25B47 - 53
26X-RAY DIFFRACTION26B54 - 59
27X-RAY DIFFRACTION27B60 - 64
28X-RAY DIFFRACTION28B65 - 70
29X-RAY DIFFRACTION29B71 - 78
30X-RAY DIFFRACTION30B79 - 86
31X-RAY DIFFRACTION31B87 - 93
32X-RAY DIFFRACTION32B94 - 99
33X-RAY DIFFRACTION33C1 - 6
34X-RAY DIFFRACTION34C7 - 12
35X-RAY DIFFRACTION35C13 - 18
36X-RAY DIFFRACTION36C19 - 24
37X-RAY DIFFRACTION37C25 - 30
38X-RAY DIFFRACTION38C31 - 35
39X-RAY DIFFRACTION39C36 - 41
40X-RAY DIFFRACTION40C42 - 46
41X-RAY DIFFRACTION41C47 - 54
42X-RAY DIFFRACTION42C55 - 59
43X-RAY DIFFRACTION43C60 - 66
44X-RAY DIFFRACTION44C67 - 71
45X-RAY DIFFRACTION45C72 - 79
46X-RAY DIFFRACTION46C80 - 86
47X-RAY DIFFRACTION47C87 - 94
48X-RAY DIFFRACTION48C95 - 99
49X-RAY DIFFRACTION49D1 - 6
50X-RAY DIFFRACTION50D7 - 12
51X-RAY DIFFRACTION51D13 - 18
52X-RAY DIFFRACTION52D19 - 24
53X-RAY DIFFRACTION53D25 - 32
54X-RAY DIFFRACTION54D33 - 37
55X-RAY DIFFRACTION55D38 - 42
56X-RAY DIFFRACTION56D43 - 47
57X-RAY DIFFRACTION57D48 - 54
58X-RAY DIFFRACTION58D55 - 60
59X-RAY DIFFRACTION59D61 - 65
60X-RAY DIFFRACTION60D66 - 71
61X-RAY DIFFRACTION61D72 - 78
62X-RAY DIFFRACTION62D79 - 84
63X-RAY DIFFRACTION63D85 - 94
64X-RAY DIFFRACTION64D95 - 99

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