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- PDB-2i2r: Crystal structure of the KChIP1/Kv4.3 T1 complex -

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Basic information

Entry
Database: PDB / ID: 2i2r
TitleCrystal structure of the KChIP1/Kv4.3 T1 complex
Components
  • Kv channel-interacting protein 1
  • Potassium voltage-gated channel subfamily D member 3
KeywordsTRANSPORT PROTEIN / EF-Hand protein / complex / potassium channel / NCS protein / calcium binding protein
Function / homology
Function and homology information


Phase 1 - inactivation of fast Na+ channels / : / ventricular cardiac muscle cell membrane repolarization / A-type (transient outward) potassium channel activity / Phase 1 - inactivation of fast Na+ channels / Voltage gated Potassium channels / potassium channel complex / membrane repolarization during ventricular cardiac muscle cell action potential / potassium ion export across plasma membrane / perinuclear endoplasmic reticulum ...Phase 1 - inactivation of fast Na+ channels / : / ventricular cardiac muscle cell membrane repolarization / A-type (transient outward) potassium channel activity / Phase 1 - inactivation of fast Na+ channels / Voltage gated Potassium channels / potassium channel complex / membrane repolarization during ventricular cardiac muscle cell action potential / potassium ion export across plasma membrane / perinuclear endoplasmic reticulum / membrane repolarization / cellular response to BMP stimulus / regulation of potassium ion transmembrane transport / regulation of monoatomic ion transmembrane transport / potassium ion import across plasma membrane / voltage-gated potassium channel activity / potassium channel activity / regulation of heart rate by cardiac conduction / plasma membrane => GO:0005886 / GABA-ergic synapse / potassium channel regulator activity / potassium ion transmembrane transport / voltage-gated potassium channel complex / caveola / protein homooligomerization / potassium ion transport / sarcolemma / cytoplasmic side of plasma membrane / monoatomic ion channel activity / postsynaptic membrane / transmembrane transporter binding / dendritic spine / membrane => GO:0016020 / postsynaptic density / neuron projection / neuronal cell body / dendrite / calcium ion binding / membrane / metal ion binding / plasma membrane / cytoplasm
Similarity search - Function
Potassium channel, voltage dependent, Kv4.3 / Voltage-gated potassium channel / Potassium channel, voltage dependent, Kv4 / Shal-type voltage-gated potassium channels, N-terminal / Potassium channel, voltage dependent, Kv4, C-terminal / Shal-type voltage-gated potassium channels, N-terminal / Domain of unknown function (DUF3399) / Recoverin family / Potassium channel, voltage dependent, Kv / Potassium channel tetramerisation-type BTB domain ...Potassium channel, voltage dependent, Kv4.3 / Voltage-gated potassium channel / Potassium channel, voltage dependent, Kv4 / Shal-type voltage-gated potassium channels, N-terminal / Potassium channel, voltage dependent, Kv4, C-terminal / Shal-type voltage-gated potassium channels, N-terminal / Domain of unknown function (DUF3399) / Recoverin family / Potassium channel, voltage dependent, Kv / Potassium channel tetramerisation-type BTB domain / BTB/POZ domain / Potassium Channel Kv1.1; Chain A / Potassium Channel Kv1.1; Chain A / EF-hand domain pair / Broad-Complex, Tramtrack and Bric a brac / BTB/POZ domain / Voltage-dependent channel domain superfamily / EF-hand / Recoverin; domain 1 / SKP1/BTB/POZ domain superfamily / EF-hand domain pair / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. / EF-hand domain / Ion transport domain / Ion transport protein / EF-hand domain pair / 2-Layer Sandwich / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Potassium voltage-gated channel subfamily D member 3 / Kv channel-interacting protein 1
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.35 Å
AuthorsFindeisen, F. / Pioletti, M. / Minor Jr., D.L.
CitationJournal: Nat.Struct.Mol.Biol. / Year: 2006
Title: Three-dimensional structure of the KChIP1-Kv4.3 T1 complex reveals a cross-shaped octamer
Authors: Pioletti, M. / Findeisen, F. / Hura, G.L. / Minor Jr., D.L.
History
DepositionAug 16, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 24, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 1.3Oct 20, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_conn_angle ...database_2 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4Aug 30, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Potassium voltage-gated channel subfamily D member 3
B: Potassium voltage-gated channel subfamily D member 3
C: Potassium voltage-gated channel subfamily D member 3
D: Potassium voltage-gated channel subfamily D member 3
E: Kv channel-interacting protein 1
F: Kv channel-interacting protein 1
G: Kv channel-interacting protein 1
H: Kv channel-interacting protein 1
I: Potassium voltage-gated channel subfamily D member 3
J: Potassium voltage-gated channel subfamily D member 3
K: Potassium voltage-gated channel subfamily D member 3
L: Potassium voltage-gated channel subfamily D member 3
M: Kv channel-interacting protein 1
N: Kv channel-interacting protein 1
O: Kv channel-interacting protein 1
P: Kv channel-interacting protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)303,94944
Polymers302,69316
Non-polymers1,25628
Water0
1
A: Potassium voltage-gated channel subfamily D member 3
B: Potassium voltage-gated channel subfamily D member 3
C: Potassium voltage-gated channel subfamily D member 3
D: Potassium voltage-gated channel subfamily D member 3
E: Kv channel-interacting protein 1
F: Kv channel-interacting protein 1
G: Kv channel-interacting protein 1
H: Kv channel-interacting protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)152,02124
Polymers151,3468
Non-polymers67416
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19080 Å2
ΔGint-397 kcal/mol
Surface area56580 Å2
MethodPISA
2
I: Potassium voltage-gated channel subfamily D member 3
J: Potassium voltage-gated channel subfamily D member 3
K: Potassium voltage-gated channel subfamily D member 3
L: Potassium voltage-gated channel subfamily D member 3
M: Kv channel-interacting protein 1
N: Kv channel-interacting protein 1
O: Kv channel-interacting protein 1
P: Kv channel-interacting protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)151,92920
Polymers151,3468
Non-polymers58212
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19110 Å2
ΔGint-369 kcal/mol
Surface area56430 Å2
MethodPISA
3


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area43440 Å2
ΔGint-787 kcal/mol
Surface area107750 Å2
MethodPISA
Unit cell
Length a, b, c (Å)93.151, 98.105, 97.783
Angle α, β, γ (deg.)91.00, 112.56, 111.77
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51I
61J
71K
81L
12F
22H
32E
42G
52P
62M
72N
82O
92F
102H
112E
122G
132P
142M
152N
162O
172F
182H
192E
202G
212P
222M
232N
242O
13A
23B
33C
43D
53I
63J
73K
83L
93A
103B
113C
123D
133I
143J
153K
163L
14F
24E
34P
44M
54N

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDRefine codeAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111ASPASPLYSLYS1AA39 - 14040 - 141
211ASPASPLYSLYS1BB39 - 14040 - 141
311ASPASPLYSLYS1CC39 - 14040 - 141
411ASPASPLYSLYS1DD39 - 14040 - 141
511ASPASPLYSLYS1II39 - 14040 - 141
611ASPASPLYSLYS1JJ39 - 14040 - 141
711ASPASPLYSLYS1KK39 - 14040 - 141
811ASPASPLYSLYS1LL39 - 14040 - 141
112GLYGLYMETMET1FF38 - 1572 - 121
212GLYGLYMETMET1HH38 - 1572 - 121
312GLYGLYMETMET1EE38 - 1572 - 121
412GLYGLYMETMET1GG38 - 1572 - 121
512GLYGLYMETMET1PP38 - 1572 - 121
612GLYGLYMETMET1MM38 - 1572 - 121
712GLYGLYMETMET1NN38 - 1572 - 121
812GLYGLYMETMET1OO38 - 1572 - 121
922METMETTHRTHR4FF158 - 170122 - 134
1022METMETTHRTHR4HH158 - 170122 - 134
1122METMETTHRTHR4EE158 - 170122 - 134
1222METMETTHRTHR4GG158 - 170122 - 134
1322METMETTHRTHR4PP158 - 170122 - 134
1422METMETTHRTHR4MM157 - 170121 - 134
1522METMETTHRTHR4NN157 - 170121 - 134
1622METMETTHRTHR4OO158 - 170122 - 134
1732PROPROGLNGLN1FF171 - 210135 - 174
1832PROPROGLNGLN1HH171 - 210135 - 174
1932PROPROGLNGLN1EE171 - 210135 - 174
2032PROPROGLNGLN1GG171 - 210135 - 174
2132PROPROGLNGLN1PP171 - 210135 - 174
2232PROPROGLNGLN1MM171 - 210135 - 174
2332PROPROGLNGLN1NN171 - 210135 - 174
2432PROPROGLNGLN1OO171 - 210135 - 174
113ALAALAMETMET1AA3 - 204 - 21
213ALAALAMETMET1BB3 - 204 - 21
313ALAALAMETMET1CC3 - 204 - 21
413ALAALAMETMET1DD3 - 204 - 21
513ALAALAMETMET1II3 - 204 - 21
613ALAALAMETMET1JJ3 - 204 - 21
713ALAALAMETMET1KK3 - 204 - 21
813ALAALAMETMET1LL3 - 204 - 21
923METMETGLNGLN4AA20 - 3821 - 39
1023METMETGLNGLN4BB20 - 3821 - 39
1123METMETGLNGLN4CC20 - 3821 - 39
1223METMETGLNGLN4DD20 - 3821 - 39
1323PROPROGLNGLN4II21 - 3822 - 39
1423METMETGLNGLN4JJ20 - 3821 - 39
1523PROPROGLNGLN4KK21 - 3822 - 39
1623PROPROGLNGLN4LL21 - 3822 - 39
114LEULEUMETMET1FF211 - 216175 - 180
214LEULEUMETMET1EE211 - 216175 - 180
314LEULEUMETMET1PP211 - 216175 - 180
414LEULEUMETMET1MM211 - 216175 - 180
514LEULEUMETMET1NN211 - 216175 - 180

NCS ensembles :
ID
1
2
3
4
DetailsThe asymmetric unit contains two copies of the biologically relevant unit: Chains A-H form one unit, chains I-P the other one.

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Components

#1: Protein
Potassium voltage-gated channel subfamily D member 3 / Voltage-gated potassium channel subunit Kv4.3


Mass: 16806.988 Da / Num. of mol.: 8 / Fragment: N-terminus and T1 domain (residues 1-143)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Kcnd3 / Plasmid: pET28-HMT / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-DE3 pLYS-S / References: UniProt: Q62897
#2: Protein
Kv channel-interacting protein 1 / KChIP1 / A-type potassium channel modulatory protein 1 / Potassium channel-interacting protein 1 / ...KChIP1 / A-type potassium channel modulatory protein 1 / Potassium channel-interacting protein 1 / Vesicle APC-binding protein


Mass: 21029.623 Da / Num. of mol.: 8 / Fragment: conserved structural core (residues 37-216) / Mutation: K160A, K167A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KCNIP1, KCHIP1, VABP / Plasmid: pEGST / Production host: Escherichia coli (E. coli) / Strain (production host): BL21-DE3 pLYS-S / References: UniProt: Q9NZI2
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#4: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Ca
#5: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na

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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: 2.49 Å3/Da / Density % sol: 50.51 %
Crystal growTemperature: 296 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 15% PEG3000, 0.2M sodium chloride, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.116 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 6, 2005 / Details: Double Crystal Si(111)
RadiationMonochromator: Double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.116 Å / Relative weight: 1
ReflectionResolution: 3.35→91.29 Å / Num. all: 41773 / Num. obs: 40483 / % possible obs: 96.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.2 % / Biso Wilson estimate: 103 Å2 / Rsym value: 0.059 / Net I/σ(I): 8.2
Reflection shellResolution: 3.35→3.54 Å / Redundancy: 2.2 % / Mean I/σ(I) obs: 1.7 / Num. unique all: 5873 / Rsym value: 0.425 / % possible all: 96.9

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Processing

Software
NameVersionClassification
REFMAC5.2.0005refinement
MOSFLMdata reduction
CCP4(SCALA)data scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 1S1G (For Kv4.3 T1 domain), PDB entry 1S6C (For KChIP1)

1s1g

1s6c


Resolution: 3.35→91.29 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.92 / SU B: 77.173 / SU ML: 0.566 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.648 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.26811 2038 5 %RANDOM
Rwork0.23651 ---
obs0.23807 38594 96.92 %-
all-38594 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 124.874 Å2
Baniso -1Baniso -2Baniso -3
1-8.03 Å2-0.81 Å23.49 Å2
2---4.31 Å20.73 Å2
3----1.62 Å2
Refinement stepCycle: LAST / Resolution: 3.35→91.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18942 0 28 0 18970
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0140.02219406
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.4151.93326357
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.69852389
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.97724.3461024
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.652152852
X-RAY DIFFRACTIONr_dihedral_angle_4_deg19.73715103
X-RAY DIFFRACTIONr_chiral_restr0.1010.22830
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0215350
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.2520.29557
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.3170.213543
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1580.2694
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined0.210.222
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.3720.265
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.4270.24
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.3471.512018
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.705219043
X-RAY DIFFRACTIONr_scbond_it1.07637650
X-RAY DIFFRACTIONr_scangle_it1.9244.57314
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A856tight positional0.040.05
12B856tight positional0.040.05
13C856tight positional0.040.05
14D856tight positional0.040.05
15I856tight positional0.040.05
16J856tight positional0.040.05
17K856tight positional0.040.05
18L856tight positional0.040.05
21F1205tight positional0.040.05
22H1205tight positional0.050.05
23E1205tight positional0.050.05
24G1205tight positional0.040.05
25P1205tight positional0.040.05
26M1205tight positional0.040.05
27N1205tight positional0.030.05
28O1205tight positional0.040.05
31A95tight positional0.050.05
32B95tight positional0.040.05
33C95tight positional0.060.05
34D95tight positional0.050.05
35I95tight positional0.030.05
36J95tight positional0.030.05
37K95tight positional0.030.05
38L95tight positional0.040.05
41F24tight positional0.040.05
42E24tight positional0.030.05
43P24tight positional0.060.05
44M24tight positional0.060.05
45N24tight positional0.040.05
21F5medium positional1.090.5
22H5medium positional0.70.5
23E5medium positional1.390.5
24G5medium positional0.860.5
25P5medium positional0.650.5
26M5medium positional0.780.5
27N5medium positional1.070.5
28O5medium positional1.320.5
11A856tight thermal0.070.5
12B856tight thermal0.060.5
13C856tight thermal0.060.5
14D856tight thermal0.060.5
15I856tight thermal0.060.5
16J856tight thermal0.060.5
17K856tight thermal0.060.5
18L856tight thermal0.060.5
21F1205tight thermal0.060.5
22H1205tight thermal0.070.5
23E1205tight thermal0.060.5
24G1205tight thermal0.050.5
25P1205tight thermal0.060.5
26M1205tight thermal0.050.5
27N1205tight thermal0.040.5
28O1205tight thermal0.050.5
31A95tight thermal0.080.5
32B95tight thermal0.070.5
33C95tight thermal0.080.5
34D95tight thermal0.080.5
35I95tight thermal0.060.5
36J95tight thermal0.040.5
37K95tight thermal0.040.5
38L95tight thermal0.050.5
41F24tight thermal0.070.5
42E24tight thermal0.080.5
43P24tight thermal0.080.5
44M24tight thermal0.070.5
45N24tight thermal0.070.5
21F5medium thermal1.52
22H5medium thermal0.412
23E5medium thermal0.342
24G5medium thermal0.262
25P5medium thermal0.82
26M5medium thermal0.192
27N5medium thermal0.352
28O5medium thermal0.282
LS refinement shellResolution: 3.35→3.437 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.365 139 -
Rwork0.351 2852 -
obs--96.48 %
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)
14.14930.06960.17910.7225-1.07959.34820.1832-0.71570.15490.9513-0.0982-0.1431-0.40990.7972-0.085-0.57420.0911-0.054-0.5024-0.0173-0.4481-9.81543.209211.9988
210.0934-2.8437-1.84977.6983-1.30549.0899-0.2399-0.7226-0.06130.59950.1145-0.80060.34280.89840.1254-0.6170.1384-0.0084-0.44880.083-0.5152-0.4309-15.91134.4281
38.61270.3558-2.59989.9408-1.82456.5388-0.0106-0.33920.1848-0.3762-0.2522-1.4183-0.47480.9730.2628-0.48440.0471-0.0202-0.49990.026-0.38768.6753-4.4714-12.9997
46.9977-0.2732-3.19999.12580.77788.49750.3357-0.5620.95170.048-0.1454-1.2183-1.15590.778-0.1903-0.3478-0.00120.0331-0.4408-0.0396-0.3773-0.228414.2651-5.0254
58.1542-1.2265-1.98769.9864-0.7763.59880.29860.1921-0.1407-0.2221-0.12411.2636-0.0232-0.8012-0.1745-0.5425-0.05070.0144-0.57560.0797-0.4448-44.8636-4.0237-11.0318
67.5312-2.30880.38695.9765-1.193211.5637-0.06350.63260.4613-0.96140.17660.3068-1.2259-0.8549-0.1131-0.13580.00460.0809-0.5578-0.0619-0.5248-36.24138.2682-28.0408
76.9979-0.6794-0.215511.98340.55279.11320.2360.999-0.2359-1.6679-0.26110.10880.0164-0.44210.0251-0.3373-0.12580.1684-0.546-0.0429-0.4354-26.9413-10.2988-36.3285
87.1189-0.2143-3.58988.07611.34629.43570.01210.5746-0.7814-0.2692-0.06220.70750.6913-0.78090.0501-0.569-0.09680.0713-0.6255-0.0726-0.3596-35.1204-22.6347-18.976
96.4695-4.53371.418913.3287-2.04934.02540.0536-0.35420.01950.0288-0.2631-1.0277-0.07350.81490.2095-0.44190.0337-0.0083-0.30670.0682-0.57715.7016-39.1274-19.6472
105.34940.67351.649414.4883.63994.734-0.2826-0.8260.15380.51410.0857-0.1219-0.42670.0070.1969-0.5215-0.01430.1617-0.3216-0.0477-0.526-23.929436.666715.4423
117.19551.2011-2.98972.8687-1.809517.54740.0037-0.69210.10970.3469-0.0073-0.33030.1230.93890.0036-0.60130.051-0.0992-0.6485-0.0142-0.4062-20.9091-25.713731.6741
1211.55313.8417-4.70393.216-2.74419.5493-0.4853-0.0180.05680.43160.4538-0.3215-0.87690.70760.03150.18180.07590.0507-0.38380.0838-0.210313.29924.3987-36.8945
1311.14627.6944-2.38712.7071-3.47139.93860.25270.2543-0.19970.20780.12830.21610.4346-0.3771-0.381-0.5371-0.0728-0.0839-0.5027-0.0888-0.6649-50.057-28.789314.4466
148.6229-6.3202-2.10228.47983.472810.43180.27840.0956-0.2975-0.83640.07961.183-0.8905-1.8774-0.35810.07010.1395-0.0569-0.20950.1-0.1036-50.916932.0813-6.5941
155.04762.90251.329210.6621-6.67714.8564-0.91050.50950.0915-1.57050.49730.3979-0.4088-0.97470.41330.4468-0.10460.4202-0.2418-0.1455-0.0939-13.395215.2499-56.5464
168.557-3.0112-0.394112.43416.36149.3351-0.05221.0465-0.5024-0.688-0.12820.72020.854-0.27130.1805-0.1043-0.0067-0.0049-0.28190.0927-0.3189-14.3684-45.8249-36.0789
1712.639-0.4971-0.367992.900419.49386.6234-0.688-1.165-0.55660.83310.0369-0.0454-0.4996-0.47180.651-0.40740.22250.0359-0.02460.0866-0.879212.1982-40.0454-15.3407
1834.7405-0.7133-25.807614.8031-13.353632.20561.18280.64212.97490.18680.45651.1852-1.3505-1.3605-1.6393-0.5646-0.0852-0.2863-0.5201-0.2115-0.1552-23.0824-18.664331.8772
1915.4594-30.96393.4103129.94675.570627.80110.3943-0.3626-0.2211-1.64930.24830.1185-0.50670.9354-0.6426-1.0075-0.20970.03-0.21540.0195-0.8641-21.513136.9889.555
2016.253112.4582-43.366419.9204-14.711148.8167-0.3834-1.0386-0.75720.7215-0.5091-0.70470.111.5740.8926-0.6811-0.0836-0.1915-0.32650.25730.120214.438118.1542-37.7686
2117.28750.9401-4.912421.2392-18.801725.77780.00160.2093-1.7217-2.5668-0.893-2.35623.08633.16780.89140.09650.22690.03720.0863-0.3812-0.3093-45.0017-35.845610.0614
2215.86-8.354-5.43134.774214.467949.1675-1.0032-1.6536-0.64992.48231.2524-0.00581.3711-4.2144-0.24920.1205-0.0605-0.33190.23690.47310.4099-53.45826.14160.1552
2310.46654.3914-0.424111.624114.257921.3217-1.2865-2.56541.0623-1.2378-0.68070.6647-2.1681-3.26521.96720.72030.45580.46140.4017-0.05590.2147-17.186719.77-51.6276
2439.3629-23.4403-26.039740.85026.398320.31082.02732.56442.8527-3.3629-1.2992-1.2642-2.29320.9608-0.72810.4223-0.0099-0.3830.21470.1285-0.1416-10.8841-38.5566-41.9458
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA35 - 14036 - 141
2X-RAY DIFFRACTION2BB35 - 14036 - 141
3X-RAY DIFFRACTION3CC33 - 14034 - 141
4X-RAY DIFFRACTION4DD37 - 14038 - 141
5X-RAY DIFFRACTION5II35 - 14036 - 141
6X-RAY DIFFRACTION6JJ33 - 14034 - 141
7X-RAY DIFFRACTION7KK37 - 14038 - 141
8X-RAY DIFFRACTION8LL33 - 14034 - 141
9X-RAY DIFFRACTION9FF38 - 2162 - 180
10X-RAY DIFFRACTION10HH38 - 2112 - 175
11X-RAY DIFFRACTION11EE38 - 2162 - 180
12X-RAY DIFFRACTION12GG38 - 2152 - 179
13X-RAY DIFFRACTION13PP38 - 2162 - 180
14X-RAY DIFFRACTION14MM38 - 2162 - 180
15X-RAY DIFFRACTION15NN38 - 2162 - 180
16X-RAY DIFFRACTION16OO38 - 2142 - 178
17X-RAY DIFFRACTION17BB4 - 205 - 21
18X-RAY DIFFRACTION18AA4 - 205 - 21
19X-RAY DIFFRACTION19DD4 - 205 - 21
20X-RAY DIFFRACTION20CC4 - 205 - 21
21X-RAY DIFFRACTION21LL4 - 325 - 33
22X-RAY DIFFRACTION22II4 - 295 - 30
23X-RAY DIFFRACTION23JJ4 - 205 - 21
24X-RAY DIFFRACTION24KK4 - 305 - 31

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