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- PDB-3ogj: Crystal structure of partial apo (92-227) of cGMP-dependent prote... -

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Basic information

Entry
Database: PDB / ID: 3ogj
TitleCrystal structure of partial apo (92-227) of cGMP-dependent protein kinase
ComponentsPRKG1 protein
KeywordsTRANSFERASE / serine/threonine kinase / TF2I and IRAG
Function / homology
Function and homology information


negative regulation of inositol phosphate biosynthetic process / negative regulation of glutamate secretion / cGMP-dependent protein kinase / cGMP-dependent protein kinase activity / cell growth involved in cardiac muscle cell development / regulation of testosterone biosynthetic process / collateral sprouting / negative regulation of vascular associated smooth muscle cell migration / negative regulation of platelet aggregation / relaxation of vascular associated smooth muscle ...negative regulation of inositol phosphate biosynthetic process / negative regulation of glutamate secretion / cGMP-dependent protein kinase / cGMP-dependent protein kinase activity / cell growth involved in cardiac muscle cell development / regulation of testosterone biosynthetic process / collateral sprouting / negative regulation of vascular associated smooth muscle cell migration / negative regulation of platelet aggregation / relaxation of vascular associated smooth muscle / positive regulation of circadian rhythm / Rap1 signalling / mitogen-activated protein kinase p38 binding / regulation of GTPase activity / cGMP-mediated signaling / dendrite development / spermatid development / cGMP effects / negative regulation of vascular associated smooth muscle cell proliferation / calcium channel regulator activity / cGMP binding / forebrain development / cerebellum development / acrosomal vesicle / neuron migration / sarcolemma / Ca2+ pathway / positive regulation of cytosolic calcium ion concentration / actin cytoskeleton organization / protein kinase activity / protein phosphorylation / protein serine kinase activity / Golgi apparatus / signal transduction / nucleoplasm / ATP binding / identical protein binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function
cGMP-dependent protein kinase, N-terminal coiled-coil domain / Coiled-coil N-terminus of cGMP-dependent protein kinase / cGMP-dependent kinase / cGMP-dependent protein kinase, catalytic domain / Cyclic nucleotide-binding domain signature 2. / Cyclic nucleotide-binding domain signature 1. / Cyclic nucleotide-binding, conserved site / Cyclic nucleotide-monophosphate binding domain / Cyclic nucleotide-binding domain / cAMP/cGMP binding motif profile. ...cGMP-dependent protein kinase, N-terminal coiled-coil domain / Coiled-coil N-terminus of cGMP-dependent protein kinase / cGMP-dependent kinase / cGMP-dependent protein kinase, catalytic domain / Cyclic nucleotide-binding domain signature 2. / Cyclic nucleotide-binding domain signature 1. / Cyclic nucleotide-binding, conserved site / Cyclic nucleotide-monophosphate binding domain / Cyclic nucleotide-binding domain / cAMP/cGMP binding motif profile. / Cyclic nucleotide-binding domain / Cyclic nucleotide-binding domain superfamily / Extension to Ser/Thr-type protein kinases / Jelly Rolls / AGC-kinase, C-terminal / AGC-kinase C-terminal domain profile. / RmlC-like jelly roll fold / Jelly Rolls / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / Sandwich / Mainly Beta
Similarity search - Domain/homology
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE / PHOSPHATE ION / cGMP-dependent protein kinase 1 / cGMP-dependent protein kinase 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.751 Å
AuthorsKim, J.J. / Huang, G. / Kwon, T.K. / Zwart, P. / Headd, J. / Kim, C.
CitationJournal: Plos One / Year: 2011
Title: Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Authors: Kim, J.J. / Casteel, D.E. / Huang, G. / Kwon, T.H. / Ren, R.K. / Zwart, P. / Headd, J.J. / Brown, N.G. / Chow, D.C. / Palzkill, T. / Kim, C.
History
DepositionAug 16, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 11, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 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: PRKG1 protein
B: PRKG1 protein
C: PRKG1 protein
D: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)63,2778
Polymers62,4294
Non-polymers8484
Water905
1
A: PRKG1 protein
hetero molecules

D: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)31,6394
Polymers31,2142
Non-polymers4242
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation4_555y,-x,z+1/41
Buried area2400 Å2
ΔGint-25 kcal/mol
Surface area12650 Å2
MethodPISA
2
B: PRKG1 protein
hetero molecules

C: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)31,6394
Polymers31,2142
Non-polymers4242
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_564-y,x+1,z-1/41
Buried area2420 Å2
ΔGint-26 kcal/mol
Surface area12600 Å2
MethodPISA
3
A: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,9362
Polymers15,6071
Non-polymers3291
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
B: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,9362
Polymers15,6071
Non-polymers3291
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
5
C: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,7022
Polymers15,6071
Non-polymers951
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
6
D: PRKG1 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,7022
Polymers15,6071
Non-polymers951
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)62.588, 62.588, 199.522
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number78
Space group name H-MP43

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Components

#1: Protein
PRKG1 protein /


Mass: 15607.178 Da / Num. of mol.: 4 / Fragment: Cyclic nucleotie binding domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Plasmid: pQTEV / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
References: UniProt: Q6P5T7, UniProt: Q13976*PLUS, cGMP-dependent protein kinase
#2: Chemical ChemComp-CMP / ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE / CYCLIC AMP / CAMP / Cyclic adenosine monophosphate


Mass: 329.206 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H12N5O6P
#3: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO4
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 5 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.13 Å3/Da / Density % sol: 60.7 %
Crystal growTemperature: 295.15 K / Method: vapor diffusion / pH: 8.1
Details: 1.4 M sodium/potassium phosphate, pH 8.1, VAPOR DIFFUSION, temperature 295.15K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: May 8, 2010
RadiationMonochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.75→45 Å / Num. all: 19782 / Num. obs: 19584 / % possible obs: 99.9 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 4.1 % / Rmerge(I) obs: 0.045 / Rsym value: 0.059 / Net I/σ(I): 31.17

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Processing

Software
NameVersionClassification
HKL-2000data collection
BALBESphasing
PHENIX(phenix.refine: 1.6_289)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.751→44.256 Å / SU ML: 0.42 / σ(F): 0.12 / σ(I): 2 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2514 915 5.11 %RANDOM
Rwork0.1796 ---
all0.1834 19782 --
obs0.1834 17902 90.14 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 51.048 Å2 / ksol: 0.308 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-14.9808 Å20 Å2-0 Å2
2--14.9808 Å20 Å2
3----29.9616 Å2
Refinement stepCycle: LAST / Resolution: 2.751→44.256 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3983 0 54 5 4042
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0054104
X-RAY DIFFRACTIONf_angle_d0.9425550
X-RAY DIFFRACTIONf_dihedral_angle_d18.2891538
X-RAY DIFFRACTIONf_chiral_restr0.056648
X-RAY DIFFRACTIONf_plane_restr0.004685
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7506-2.89560.35521040.28291938X-RAY DIFFRACTION73
2.8956-3.0770.38581120.26182213X-RAY DIFFRACTION82
3.077-3.31450.32891210.24982419X-RAY DIFFRACTION89
3.3145-3.64790.32261360.21492536X-RAY DIFFRACTION94
3.6479-4.17540.24881340.16552592X-RAY DIFFRACTION96
4.1754-5.25920.2131550.13942635X-RAY DIFFRACTION98
5.2592-44.26210.2081530.15332654X-RAY DIFFRACTION98
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)
13.7321.0033-0.67272.6011-0.3117-0.0952-0.33850.2376-0.1526-0.38480.34130.06040.19710.86020.080.45330.0868-0.02840.69670.00150.42784.542718.335112.4963
22.57262.10591.67783.756-1.01954.62951.1441-0.82130.2526-0.1346-0.8434-2.1031-1.1028-0.06730.17260.3905-0.05670.14481.2072-0.01010.957917.418924.833818.1069
30.9152-1.47260.50653.7336-0.79547.4792-0.2440.8401-0.2490.6024-1.39960.16471.39253.52771.00210.51870.1760.0371.61210.03630.522517.217916.647820.8682
43.8975-2.14652.58985.6742-1.00652.84661.3046-0.7615-0.2661-1.6422-0.81710.52770.4203-0.3097-0.19680.53390.1163-0.14560.82520.1770.70615.310318.973116.0029
52.72341.0134-0.02411.52770.2173.3076-0.5935-0.1248-0.1027-0.1580.5423-0.0147-0.4480.26510.20290.6302-0.114-0.06590.8618-0.13270.6322-0.308838.060520.6628
62.1384-2.01050.23583.7865-1.65531.22170.4163-0.69610.56981.11291.03620.1236-1.0759-0.6596-0.63151.04290.2578-0.09071.464-0.32220.70222.481133.158534.1893
71.92882.1706-2.16612.6387-3.59416.12110.9113-0.07771.89020.32521.41351.6654-0.7048-0.5899-0.92510.75350.09850.10130.70250.11560.93085.613829.20820.4274
85.5546-0.503-0.29094.8796-0.92149.2919-2.4246-0.12512.10040.7892-0.2541-2.5298-0.2577-1.211.57540.9281-0.1185-0.24250.6424-0.17261.38979.601440.401623.7554
93.70122.7046-0.27435.8338-4.60065.04731.673-2.05563.63792.26710.03142.3932-1.39981.0192-1.23910.61580.1301-0.22171.0854-0.67981.368912.036841.723933.4766
103.2974-4.02070.04628.6868-2.65022.2007-1.4985-3.12390.57840.28121.828-2.7217-0.15550.5819-0.36370.6289-0.32110.06221.4976-0.47330.842413.594335.030620.4928
112.77872.10392.4991.9071.13172.4448-0.21951.04821.3443-0.03021.1770.11610.54973.4698-0.55680.7530.0673-0.27430.909-0.07930.726610.137825.950729.1541
125.52720.8720.72952.0329-5.78947.7904-2.55360.50720.34832.76496.24920.81770.2867-0.564-0.73881.4959-0.0221-0.48651.2995-0.41941.26057.96228.168334.9558
131.0675-1.18161.26444.88280.83661.38310.53150.24640.7570.77350.1917-1.61270.1811.3044-0.3450.6969-0.0931-0.02330.7541-0.07411.02563.794636.162118.3382
143.0077-1.5992-3.42972.79342.59753.9356-0.0181-0.35110.15633.21270.46220.91361.52541.084-0.57860.7240.0827-0.06020.93320.22770.42924.09117.38425.989
153.58363.73071.58986.3026-1.61895.015-1.6492-1.4398-3.0803-0.5671.8588-0.540.3043-1.6343-0.53011.0313-0.0481-0.25030.8590.1571.174311.17519.906124.6001
166.15861.77940.12862.34511.74311.0762-1.3697-1.0085-0.509-0.22370.49810.1211-0.51430.43680.81590.70910.0977-0.11050.7544-0.03990.5046-19.738731.2824-0.8623
171.2437-0.31040.63220.45730.01890.365-0.4713-0.63890.50570.02440.24640.3815-0.7147-0.37870.07481.0735-0.0949-0.06190.4076-0.02920.6484-7.497442.36296.4662
181.6172-1.23291.39913.29510.51193.1476-0.95-0.25140.447-0.35790.6871-0.2647-2.4811-0.17750.36941.3625-0.10750.02980.62610.02830.6666-9.234450.158-5.8235
193.48510.8166-2.17033.31011.69412.7482-0.0172-1.00380.77880.5260.13120.038-1.1715-0.365-0.13610.80380.29920.08390.59770.07660.5554-16.650643.23220.326
203.4661-3.22692.36733.5976-1.57961.9961-0.6881-0.94531.2825-0.42470.209-0.819-0.38770.15570.41320.986-0.0906-0.05580.45640.10270.5177-5.598831.97520.1968
213.0285-1.9810.20852.7369-2.32.62321.52710.3614-0.5173-1.35140.0420.1830.64151.0698-0.75720.96520.10.25650.83610.09790.777.057932.2602-8.7453
227.72740.6939-0.46047.1013-0.22822.8986-0.9808-0.36290.0635-1.70360.598-0.7224-0.28530.45430.29330.7587-0.06770.04490.62070.03090.5964-4.162933.51-14.0515
239.7276-0.0313-2.62052.7852-2.14524.56590.30391.73011.34090.7409-0.17240.1639-1.3411-1.66750.01540.6925-0.0180.04860.76830.15810.82223.823139.0127-1.4673
248.80180.191-6.84046.2166-1.73387.89180.44660.8212-0.0542-2.02640.7739-1.53812.03980.2932-0.79781.1212-0.11240.45011.30190.1241.06169.618441.6697-17.6177
254.2109-1.56440.84572.5111-0.72120.45421.2668-0.40484.10031.0046-0.3253-1.62041.65390.7439-0.27641.4487-0.52570.24060.9351-0.04481.67487.129245.0635-6.5991
266.8585-2.4495-1.41025.75942.40921.98840.98651.0618-0.75360.36760.38920.1049-3.6186-2.1512-1.35790.6278-0.13680.17480.58480.32240.4696-3.646842.0107-9.8746
277.9856-7.10065.30654.9416-5.59946.0343.09722.90241.0199-1.9256-2.3414-0.88082.06851.3549-0.22550.7919-0.01010.36910.85230.13060.856-0.771338.7925-15.5713
282.7935-1.58760.64430.9779-0.21732.538-0.8540.2376-1.3081-0.42420.9002-0.4777-1.47520.2153-0.15950.5952-0.12110.07740.51730.00270.83350.66734.6725-0.653
296.6224-1.2131-1.93113.6663-3.71325.50970.62411.6053-1.5321-1.0582-0.31942.9252-0.3462-0.52090.16451.00120.0501-0.1050.9630.17110.7501-14.160935.5605-10.1112
300.68560.53010.27971.04930.25447.03651.392-0.9935-0.3746-0.05770.25951.14672.2492-0.4206-0.96020.7561-0.1286-0.32660.9508-0.02710.6783-20.281940.8216-8.1411
313.64691.7651-1.22073.01291.30821.7615-0.9346-0.325-0.0826-0.14860.75770.1936-0.62070.17320.13430.69460.1633-0.06140.57950.03180.5522-12.965530.534519.2646
323.735.12610.77519.92711.98721.59280.5847-2.76743.12241.9756-1.14943.05370.2452-1.13121.09640.25040.2685-0.03381.268-0.17880.7286-23.343720.91724.9182
334.76790.15233.2177.48230.72432.4261-0.8510.4563-2.37881.93842.3892-0.27530.23281.1014-0.81430.84020.00220.21962.20760.19260.8598-22.382220.470932.3961
343.5417-1.6088-2.25650.88580.43962.1130.03370.24270.71030.25930.1910.2898-1.524-0.3845-0.37330.60740.1239-0.01220.6205-0.01280.6717-18.210631.133126.3354
353.53450.2846-1.9724.29684.99478.44020.7382-1.9624-1.1991-2.97120.46290.7192-1.0750.0169-0.75190.5097-0.08890.02450.64350.10140.4749-8.522723.645118.924
365.033.24062.19733.71164.20245.56360.16540.5962-0.3714-2.18221.3396-0.4616-1.0072-0.1291-0.90990.8887-0.09280.21170.75750.08190.8639-6.7648.573614.1646
375.1855-0.4886-1.92052.38131.97612.51950.72371.88530.1351.5025-0.36280.03441.4349-0.3413-0.37420.74560.1995-0.02810.65060.23930.6042-4.71818.818728.2494
381.69070.88421.48620.43630.50233.88990.08320.6151-0.9623-0.35990.035-0.58-0.71780.7955-0.12690.68630.1175-0.03290.864-0.08480.7032-12.302817.374120.499
394.03110.87951.99911.0429-0.76867.5089-0.85930.37-1.3428-0.9569-0.17730.12732.2810.66981.01071.0013-0.01990.40050.65530.04790.978-14.50234.494922.8118
404.9229-3.62133.47279.7141-4.49385.2968-1.09910.39940.00230.8821-0.5151-1.7123-0.42020.59371.0770.6029-0.1853-0.05110.67630.1450.7259-16.66513.381925.0716
410.4083-0.19251.95392.5640.84347.621-0.1938-0.3958-0.974-0.20790.40470.2918-1.19280.6804-0.02550.52050.05910.01810.87730.0130.6145-13.847516.695530.9178
428.62440.38923.43954.5736-3.4394.2714-1.3252-1.6449-0.17481.055-0.8493-0.1189-3.0557-0.47150.87950.90150.03650.10240.67580.12980.5618-8.79039.366331.4323
433.918-1.5228-0.41393.3232-0.3151-0.01850.06531.0136-0.58110.38080.03850.4323-0.0608-0.202-0.11550.61690.08520.04440.4115-0.09050.6378-11.153413.09816.3345
447.86571.2465-0.86623.64731.29914.53991.8911.1315-1.1985-2.31951.20150.53472.9065-0.2535-1.30861.4419-0.1289-0.30280.85940.14750.7223-6.788625.794630.3977
453.66691.51632.15526.0931-3.58098.574-0.06430.38240.6952.13212.3866-0.651-0.72890.765-1.72091.0187-0.1052-0.05121.19-0.09850.6827-12.121331.828233.6865
463.69363.0593-4.76275.472-4.76864.55640.519-1.25540.0622-0.9846-1.2684-0.19811.03091.91060.65080.76520.1160.01330.85010.13740.560.904320.7075-2.6939
471.9627-0.45812.06056.3596-5.82041.9554-0.5187-0.6589-5.25981.1979-1.3396-0.69095.63271.4213-1.06830.65920.05230.01580.2478-0.0920.501-7.82059.1263-2.5957
486.66275.6373-2.79194.5324-2.49138.1317-0.15320.4099-2.3615-1.94881.11430.04093.2464-1.0806-0.30331.4241-0.0311-0.02420.4432-0.16120.6696-10.07998.9559-13.3762
491.8114-0.69691.27922.1179-0.61413.86341.35240.0155-1.0898-0.8551-0.22930.52420.19090.6837-0.36580.85820.0683-0.17320.685-0.04760.82050.166212.7755-9.8139
503.1551-4.027-1.51696.97434.38736.6122-0.8292-1.7988-1.0859-1.20551.16211.2147-1.43331.5641-0.11180.7729-0.11060.0240.5078-0.10920.5829-5.191921.6318-2.7794
519.21950.9937-2.46992.7559-2.88235.516-0.0795-3.16060.1290.8198-0.4616-0.1735-1.96790.8104-0.07080.4304-0.0526-0.04790.6982-0.21560.6131-21.580624.31692.5797
522.3912-1.294-1.49173.3202-1.014.0865-1.28080.18510.45180.5060.56520.5606-1.0349-0.55320.80290.77120.1542-0.40310.74850.08810.6906-22.458526.6276-11.4691
533.3149-0.93060.61366.0325-4.26246.2375-0.95440.41480.2352-1.58581.04690.31080.2149-1.9822-0.31880.48660.0795-0.00570.65680.09330.5667-13.706320.4664-6.5617
547.283-2.01632.17963.42220.50063.4647-0.7261-2.5967-0.23520.62550.16580.7347-0.4793-2.31140.65480.6573-0.00730.07780.7369-0.17510.7035-23.689816.3638-3.5248
555.7104-3.28271.90697.36130.5361.59880.76440.37690.00950.7129-1.67231.3289-0.08580.23720.73880.67210.0115-0.04390.702-0.30791.2046-30.91215.5338-10.6843
560.23050.1788-0.31250.01260.25891.9410.34450.3288-0.4338-0.12760.29950.4738-1.3902-1.124-0.43340.797-0.0621-0.05150.4656-0.01350.6639-15.620416.4842-12.0121
571.7132-0.8050.35674.8524-0.98874.9528-0.31420.688-0.0807-0.0206-0.39380.58070.49910.14640.56950.563-0.07250.05040.6055-0.04540.557-23.490121.4699-7.6203
585.7438-0.2833-3.26831.50470.11839.1014-0.1680.91580.8760.03331.00280.71361.7073-0.5133-0.43380.5256-0.03360.0020.4377-0.01460.5559-11.561120.9486-1.8057
595.2467-1.02721.57794.4476-1.49812.5480.5148-2.15162.21551.76780.1144-0.110.6083-2.3221-0.22040.5983-0.067-0.06041.40750.27360.7466-5.294824.1597-14.4376
606.0543-0.4338-1.13262.11381.8622.6198-0.95540.03650.0086-0.05143.029-1.5525-2.1424-2.0598-0.93910.8138-0.19250.2320.8724-0.05460.52490.857518.556-16.6196
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 92:109)
2X-RAY DIFFRACTION2(chain A and resid 110:117)
3X-RAY DIFFRACTION3(chain A and resid 118:127)
4X-RAY DIFFRACTION4(chain A and resid 128:136)
5X-RAY DIFFRACTION5(chain A and resid 137:145)
6X-RAY DIFFRACTION6(chain A and resid 146:151)
7X-RAY DIFFRACTION7(chain A and resid 152:160)
8X-RAY DIFFRACTION8(chain A and resid 161:166)
9X-RAY DIFFRACTION9(chain A and resid 167:172)
10X-RAY DIFFRACTION10(chain A and resid 173:180)
11X-RAY DIFFRACTION11(chain A and resid 181:187)
12X-RAY DIFFRACTION12(chain A and resid 188:195)
13X-RAY DIFFRACTION13(chain A and resid 196:206)
14X-RAY DIFFRACTION14(chain A and resid 207:214)
15X-RAY DIFFRACTION15(chain A and resid 215:219)
16X-RAY DIFFRACTION16(chain B and resid 92:100)
17X-RAY DIFFRACTION17(chain B and resid 101:113)
18X-RAY DIFFRACTION18(chain B and resid 114:122)
19X-RAY DIFFRACTION19(chain B and resid 123:132)
20X-RAY DIFFRACTION20(chain B and resid 133:138)
21X-RAY DIFFRACTION21(chain B and resid 139:148)
22X-RAY DIFFRACTION22(chain B and resid 149:155)
23X-RAY DIFFRACTION23(chain B and resid 156:164)
24X-RAY DIFFRACTION24(chain B and resid 165:170)
25X-RAY DIFFRACTION25(chain B and resid 171:178)
26X-RAY DIFFRACTION26(chain B and resid 179:186)
27X-RAY DIFFRACTION27(chain B and resid 187:198)
28X-RAY DIFFRACTION28(chain B and resid 199:208)
29X-RAY DIFFRACTION29(chain B and resid 209:213)
30X-RAY DIFFRACTION30(chain B and resid 214:218)
31X-RAY DIFFRACTION31(chain C and resid 92:110)
32X-RAY DIFFRACTION32(chain C and resid 111:116)
33X-RAY DIFFRACTION33(chain C and resid 117:121)
34X-RAY DIFFRACTION34(chain C and resid 122:132)
35X-RAY DIFFRACTION35(chain C and resid 133:137)
36X-RAY DIFFRACTION36(chain C and resid 138:143)
37X-RAY DIFFRACTION37(chain C and resid 144:152)
38X-RAY DIFFRACTION38(chain C and resid 153:160)
39X-RAY DIFFRACTION39(chain C and resid 161:167)
40X-RAY DIFFRACTION40(chain C and resid 168:177)
41X-RAY DIFFRACTION41(chain C and resid 178:189)
42X-RAY DIFFRACTION42(chain C and resid 190:196)
43X-RAY DIFFRACTION43(chain C and resid 197:207)
44X-RAY DIFFRACTION44(chain C and resid 208:213)
45X-RAY DIFFRACTION45(chain C and resid 214:218)
46X-RAY DIFFRACTION46(chain D and resid 92:106)
47X-RAY DIFFRACTION47(chain D and resid 107:112)
48X-RAY DIFFRACTION48(chain D and resid 113:122)
49X-RAY DIFFRACTION49(chain D and resid 123:131)
50X-RAY DIFFRACTION50(chain D and resid 132:136)
51X-RAY DIFFRACTION51(chain D and resid 137:143)
52X-RAY DIFFRACTION52(chain D and resid 144:152)
53X-RAY DIFFRACTION53(chain D and resid 153:158)
54X-RAY DIFFRACTION54(chain D and resid 159:167)
55X-RAY DIFFRACTION55(chain D and resid 168:174)
56X-RAY DIFFRACTION56(chain D and resid 175:189)
57X-RAY DIFFRACTION57(chain D and resid 190:201)
58X-RAY DIFFRACTION58(chain D and resid 202:208)
59X-RAY DIFFRACTION59(chain D and resid 209:213)
60X-RAY DIFFRACTION60(chain D and resid 214:218)

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