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- PDB-5lhy: PB3 Domain of Human PLK4 (apo) -

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Basic information

Entry
Database: PDB / ID: 5lhy
TitlePB3 Domain of Human PLK4 (apo)
ComponentsSerine/threonine-protein kinase PLK4
KeywordsSTRUCTURAL PROTEIN / Polo box domain / Centriole / transferase
Function / homology
Function and homology information


de novo centriole assembly involved in multi-ciliated epithelial cell differentiation / procentriole / deuterosome / procentriole replication complex / positive regulation of centriole replication / trophoblast giant cell differentiation / polo kinase / XY body / cleavage furrow / centriole replication ...de novo centriole assembly involved in multi-ciliated epithelial cell differentiation / procentriole / deuterosome / procentriole replication complex / positive regulation of centriole replication / trophoblast giant cell differentiation / polo kinase / XY body / cleavage furrow / centriole replication / cilium assembly / Loss of Nlp from mitotic centrosomes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of mitotic centrosome proteins and complexes / Recruitment of NuMA to mitotic centrosomes / Anchoring of the basal body to the plasma membrane / centriole / AURKA Activation by TPX2 / Regulation of PLK1 Activity at G2/M Transition / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / nucleolus / ATP binding / identical protein binding / cytosol
Similarity search - Function
OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #930 / Serine/threonine-protein kinase, first cryptic polo-box domain superfamily / : / Cryptic Polo-Box 1 (CPB1) domain profile. / Cryptic Polo-Box 2 (CPB2) domain profile. / Plk4, C-terminal polo-box domain / Plk4, second cryptic polo-box domain / Plk4, first cryptic polo-box domain / Polo-like Kinase 4 Polo Box 1 / Polo-like Kinase 4 Polo Box 2 ...OB fold (Dihydrolipoamide Acetyltransferase, E2P) - #930 / Serine/threonine-protein kinase, first cryptic polo-box domain superfamily / : / Cryptic Polo-Box 1 (CPB1) domain profile. / Cryptic Polo-Box 2 (CPB2) domain profile. / Plk4, C-terminal polo-box domain / Plk4, second cryptic polo-box domain / Plk4, first cryptic polo-box domain / Polo-like Kinase 4 Polo Box 1 / Polo-like Kinase 4 Polo Box 2 / POLO box domain / POLO box domain profile. / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Tyrosine-protein kinase, active site / Protein kinase domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Serine/threonine-protein kinase PLK4
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.31 Å
AuthorsCottee, M.A. / Johnson, S. / Lea, S.M.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Wellcome Trust100298 United Kingdom
Wellcome Trust104575 United Kingdom
CitationJournal: Biol Open / Year: 2017
Title: A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Authors: Cottee, M.A. / Johnson, S. / Raff, J.W. / Lea, S.M.
History
DepositionJul 13, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 1, 2017Provider: repository / Type: Initial release
Revision 1.1Mar 8, 2017Group: Database references
Revision 1.2Mar 29, 2017Group: Database references
Revision 1.3May 10, 2017Group: Database references
Revision 1.4Jan 10, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
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: Serine/threonine-protein kinase PLK4
B: Serine/threonine-protein kinase PLK4
C: Serine/threonine-protein kinase PLK4
D: Serine/threonine-protein kinase PLK4
E: Serine/threonine-protein kinase PLK4
F: Serine/threonine-protein kinase PLK4
G: Serine/threonine-protein kinase PLK4
H: Serine/threonine-protein kinase PLK4
I: Serine/threonine-protein kinase PLK4
J: Serine/threonine-protein kinase PLK4
K: Serine/threonine-protein kinase PLK4
L: Serine/threonine-protein kinase PLK4
M: Serine/threonine-protein kinase PLK4
N: Serine/threonine-protein kinase PLK4
O: Serine/threonine-protein kinase PLK4
P: Serine/threonine-protein kinase PLK4
Q: Serine/threonine-protein kinase PLK4
R: Serine/threonine-protein kinase PLK4
S: Serine/threonine-protein kinase PLK4
T: Serine/threonine-protein kinase PLK4
U: Serine/threonine-protein kinase PLK4
V: Serine/threonine-protein kinase PLK4
W: Serine/threonine-protein kinase PLK4
X: Serine/threonine-protein kinase PLK4
Y: Serine/threonine-protein kinase PLK4
Z: Serine/threonine-protein kinase PLK4
1: Serine/threonine-protein kinase PLK4
2: Serine/threonine-protein kinase PLK4
3: Serine/threonine-protein kinase PLK4
4: Serine/threonine-protein kinase PLK4
5: Serine/threonine-protein kinase PLK4
6: Serine/threonine-protein kinase PLK4
7: Serine/threonine-protein kinase PLK4
8: Serine/threonine-protein kinase PLK4
9: Serine/threonine-protein kinase PLK4
a: Serine/threonine-protein kinase PLK4
b: Serine/threonine-protein kinase PLK4
c: Serine/threonine-protein kinase PLK4
d: Serine/threonine-protein kinase PLK4
e: Serine/threonine-protein kinase PLK4
f: Serine/threonine-protein kinase PLK4
g: Serine/threonine-protein kinase PLK4
h: Serine/threonine-protein kinase PLK4
i: Serine/threonine-protein kinase PLK4
j: Serine/threonine-protein kinase PLK4
k: Serine/threonine-protein kinase PLK4
l: Serine/threonine-protein kinase PLK4
m: Serine/threonine-protein kinase PLK4
n: Serine/threonine-protein kinase PLK4
o: Serine/threonine-protein kinase PLK4
p: Serine/threonine-protein kinase PLK4
q: Serine/threonine-protein kinase PLK4
r: Serine/threonine-protein kinase PLK4
s: Serine/threonine-protein kinase PLK4
t: Serine/threonine-protein kinase PLK4
u: Serine/threonine-protein kinase PLK4
v: Serine/threonine-protein kinase PLK4
w: Serine/threonine-protein kinase PLK4
x: Serine/threonine-protein kinase PLK4
y: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)594,91160
Polymers594,91160
Non-polymers00
Water0
1
A: Serine/threonine-protein kinase PLK4
B: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2510 Å2
ΔGint-23 kcal/mol
Surface area9590 Å2
MethodPISA
2
C: Serine/threonine-protein kinase PLK4
D: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2580 Å2
ΔGint-24 kcal/mol
Surface area9570 Å2
MethodPISA
3
E: Serine/threonine-protein kinase PLK4
F: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2500 Å2
ΔGint-22 kcal/mol
Surface area9550 Å2
MethodPISA
4
G: Serine/threonine-protein kinase PLK4
H: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2550 Å2
ΔGint-23 kcal/mol
Surface area9550 Å2
MethodPISA
5
I: Serine/threonine-protein kinase PLK4
J: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-23 kcal/mol
Surface area9590 Å2
MethodPISA
6
K: Serine/threonine-protein kinase PLK4
L: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2540 Å2
ΔGint-23 kcal/mol
Surface area9670 Å2
MethodPISA
7
M: Serine/threonine-protein kinase PLK4
N: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2510 Å2
ΔGint-22 kcal/mol
Surface area9630 Å2
MethodPISA
8
O: Serine/threonine-protein kinase PLK4
P: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2580 Å2
ΔGint-23 kcal/mol
Surface area9540 Å2
MethodPISA
9
Q: Serine/threonine-protein kinase PLK4
R: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2530 Å2
ΔGint-23 kcal/mol
Surface area9630 Å2
MethodPISA
10
S: Serine/threonine-protein kinase PLK4
T: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-23 kcal/mol
Surface area9570 Å2
MethodPISA
11
U: Serine/threonine-protein kinase PLK4
V: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2510 Å2
ΔGint-23 kcal/mol
Surface area9530 Å2
MethodPISA
12
W: Serine/threonine-protein kinase PLK4
X: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2550 Å2
ΔGint-23 kcal/mol
Surface area9600 Å2
MethodPISA
13
Y: Serine/threonine-protein kinase PLK4
Z: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2580 Å2
ΔGint-23 kcal/mol
Surface area9610 Å2
MethodPISA
14
1: Serine/threonine-protein kinase PLK4
2: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2510 Å2
ΔGint-22 kcal/mol
Surface area9480 Å2
MethodPISA
15
3: Serine/threonine-protein kinase PLK4
4: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2500 Å2
ΔGint-23 kcal/mol
Surface area9660 Å2
MethodPISA
16
5: Serine/threonine-protein kinase PLK4
6: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2560 Å2
ΔGint-23 kcal/mol
Surface area9590 Å2
MethodPISA
17
7: Serine/threonine-protein kinase PLK4
8: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2530 Å2
ΔGint-23 kcal/mol
Surface area9600 Å2
MethodPISA
18
9: Serine/threonine-protein kinase PLK4
a: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2510 Å2
ΔGint-22 kcal/mol
Surface area9550 Å2
MethodPISA
19
b: Serine/threonine-protein kinase PLK4
c: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-22 kcal/mol
Surface area9630 Å2
MethodPISA
20
d: Serine/threonine-protein kinase PLK4
e: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2560 Å2
ΔGint-23 kcal/mol
Surface area9670 Å2
MethodPISA
21
f: Serine/threonine-protein kinase PLK4
g: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-22 kcal/mol
Surface area9620 Å2
MethodPISA
22
h: Serine/threonine-protein kinase PLK4
i: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2610 Å2
ΔGint-23 kcal/mol
Surface area9590 Å2
MethodPISA
23
j: Serine/threonine-protein kinase PLK4
k: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-23 kcal/mol
Surface area9560 Å2
MethodPISA
24
l: Serine/threonine-protein kinase PLK4
m: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2540 Å2
ΔGint-23 kcal/mol
Surface area9650 Å2
MethodPISA
25
n: Serine/threonine-protein kinase PLK4
o: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2540 Å2
ΔGint-23 kcal/mol
Surface area9560 Å2
MethodPISA
26
p: Serine/threonine-protein kinase PLK4
q: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2560 Å2
ΔGint-23 kcal/mol
Surface area9640 Å2
MethodPISA
27
r: Serine/threonine-protein kinase PLK4
s: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2540 Å2
ΔGint-22 kcal/mol
Surface area9530 Å2
MethodPISA
28
t: Serine/threonine-protein kinase PLK4
u: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2550 Å2
ΔGint-23 kcal/mol
Surface area9620 Å2
MethodPISA
29
v: Serine/threonine-protein kinase PLK4
w: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2520 Å2
ΔGint-23 kcal/mol
Surface area9540 Å2
MethodPISA
30
x: Serine/threonine-protein kinase PLK4
y: Serine/threonine-protein kinase PLK4


Theoretical massNumber of molelcules
Total (without water)19,8302
Polymers19,8302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2530 Å2
ΔGint-22 kcal/mol
Surface area9650 Å2
MethodPISA
Unit cell
Length a, b, c (Å)220.350, 220.350, 325.730
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number96
Space group name H-MP43212

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Components

#1: Protein ...
Serine/threonine-protein kinase PLK4 / Polo-like kinase 4 / PLK-4 / Serine/threonine-protein kinase 18 / Serine/threonine-protein kinase Sak


Mass: 9915.191 Da / Num. of mol.: 60 / Fragment: UNP residues 884-970
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PLK4, SAK, STK18 / Production host: Escherichia coli B (bacteria) / Strain (production host): B834 / References: UniProt: O00444, polo kinase

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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: 3.32 Å3/Da / Density % sol: 62.99 % / Description: cubes
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop
Details: 100 nl protein solution (52.3 mg/ml protein in 20 mM Tris pH 7.5, 150 mM NaCl, 2 mM DTT) and 100 nl mother liquor (32.27% v/v PPG400, 100 mM NaCl, 50 mM MgCl2, unbuffered)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9762 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 6, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 3.31→110.18 Å / Num. obs: 119458 / % possible obs: 100 % / Redundancy: 9.7 % / CC1/2: 0.999 / Net I/σ(I): 16.6
Reflection shellHighest resolution: 3.31 Å / Rmerge(I) obs: 1.353

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: Chainsaw model based on 1MBY

1mby


Resolution: 3.31→104.367 Å / SU ML: 0.5 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 30.41
RfactorNum. reflection% reflection
Rfree0.2952 5936 4.98 %
Rwork0.2692 --
obs0.2705 119305 99.91 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.31→104.367 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms35580 0 0 0 35580
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00236300
X-RAY DIFFRACTIONf_angle_d0.52849380
X-RAY DIFFRACTIONf_dihedral_angle_d15.86521360
X-RAY DIFFRACTIONf_chiral_restr0.0445700
X-RAY DIFFRACTIONf_plane_restr0.0056240
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)
15.7226-0.43741.19137.354-0.06255.80340.1213-0.25730.78020.52030.22041.12970.0028-0.5307-0.49760.76760.0951-0.13090.69840.01241.453-50.7535-73.011315.3301
25.9580.4499-0.44034.4033-0.15026.12050.36470.2798-0.257-0.0210.16140.5578-0.1623-0.3892-0.48760.77280.034-0.18190.75660.07451.3501-51.7381-75.25798.9668
36.831-0.70620.79364.7153-1.80965.27690.37080.2595-1.22330.54870.1498-0.46471.09570.8501-0.44830.89280.0923-0.26840.8968-0.05031.4603-34.1618-89.079816.2839
46.5557-0.18353.1734.4505-0.74585.08930.30061.1285-0.4156-0.05330.2771-0.89460.58761.2491-0.68180.8350.1021-0.22660.959-0.08131.5726-31.3121-85.789411.2293
54.63510.5995-0.01295.51911.47353.9217-0.10640.087-0.0938-0.26040.2802-0.37190.13450.1804-0.20760.7670.19540.04460.93730.02080.5377-93.357-122.600141.2951
62.52620.13830.36976.94363.69464.14560.05620.44510.02030.3442-0.11040.45510.2908-0.14740.07930.74530.09860.06261.04160.12160.6625-100.0029-121.938539.1786
74.2836-0.85580.71644.81270.90046.2373-0.3215-0.69280.16151.01590.60840.1954-0.11660.1827-0.34211.13410.42180.2821.23260.23330.6254-102.3447-121.291462.6839
86.64190.5621-0.74646.9919-0.88034.8714-0.1802-1.0294-0.10361.03530.52150.90820.5756-0.0212-0.23011.31020.30270.31210.93860.17610.7392-105.5654-127.060361.1771
95.5518-1.25210.72933.4257-1.29255.33020.0588-0.24810.63980.3002-0.10840.2106-1.42270.13950.23471.40630.24390.04080.9444-0.13271.1828-1.8581-103.836938.1743
106.3988-0.08530.25596.1961.18866.6271-0.6892-0.88680.95210.41160.19030.338-0.9647-1.08640.54851.22270.22180.03790.8775-0.10061.165-7.2425-106.153241.5562
116.6901-1.84081.00093.8096-0.24774.1215-0.0674-0.2997-0.0771-0.0021-0.05810.03420.0850.430.12181.16840.11690.0460.83430.00750.99146.4278-125.343141.6436
124.7294-0.5114-0.71423.22530.69127.7809-0.32890.2675-0.53110.1950.4860.42260.8871-0.8202-0.01521.05720.2077-0.02771.00580.091.08861.0476-127.407438.1904
132.95882.4218-1.27677.4544-1.93653.9353-0.085-0.3690.13070.27220.077-0.10090.26290.32880.0420.8133-0.1039-0.06850.9656-0.04510.682-0.3273-14.036741.1586
144.21061.5131-1.01785.2171-0.34584.4149-0.03330.19940.2876-0.27060.30460.98990.3876-0.27870.21841.0306-0.227-0.0440.99750.11590.6903-6.5596-14.354638.289
154.4362.3248-1.67477.33470.5283.7237-0.6991.1741-0.362-1.51790.896-0.90080.80980.0452-0.43811.5884-0.27030.11591.1551-0.07450.68758.238-18.29419.888
166.55140.88561.17456.57420.82783.4143-0.8311.18331.006-2.37730.7692-0.28880.60.0069-0.96251.6344-0.610.0741.36750.0720.62085.283-12.457918.3955
177.77032.3832-1.61057.72880.94054.9824-0.209-1.0220.28510.891-0.16130.34220.15330.65530.43591.00870.0128-0.03790.92-0.05071.1355-64.105-97.559916.5258
185.6098-0.7986-0.01846.25081.26943.6666-0.3351-0.04110.13130.3570.19831.1516-0.2646-0.4450.17320.94780.0607-0.10690.9519-0.0530.9868-68.0192-97.405111.0092
195.9356-0.6196-1.83435.36991.27112.9779-0.43640.3087-0.67830.19160.4438-0.57160.68520.62250.09940.9831-0.08430.00731.067-0.07851.0022-49.1261-110.00624.0031
208.2625-1.2277-1.6466.02872.64915.6286-0.38511.11050.0159-0.42960.4651-0.63060.12160.9268-0.21530.8124-0.20990.05421.1851-0.12821.1674-48.7303-104.5571-0.0091
214.5454-0.0809-0.6484.16480.16577.0552-0.0110.4639-0.0627-0.40590.0507-0.6038-0.48410.4578-0.06050.9702-0.0535-0.06620.7767-0.08581.1754-65.6957-162.161259.9325
224.46260.22561.88355.44311.74827.4958-0.1693-0.07950.0740.22820.2155-0.6644-0.40880.3413-0.08660.7966-0.0389-0.19560.78840.07431.1726-66.7149-166.681665.009
235.24550.2031.48934.48851.87664.4397-0.20980.7487-0.2612-0.96490.04710.2075-0.07350.0350.17571.0113-0.0611-0.06260.7362-0.00080.9806-78.7539-176.270347.0976
245.94290.62231.94715.75981.52532.7107-0.1260.0956-0.1028-0.6210.06050.7156-0.1749-0.40940.13030.94550.002-0.04970.7543-0.08251.0443-83.5972-175.080551.5107
252.57710.48360.56044.3165-1.89468.6429-0.27860.41380.2668-0.4375-0.0017-0.21030.08850.93530.17850.7679-0.05130.04881.0753-0.0620.7179-70.3264-119.4783-9.3175
263.34982.4833-1.20725.45210.78736.6832-0.3650.7062-0.8057-0.49880.2869-0.65830.68640.86470.09380.91420.0057-0.00770.9462-0.03190.6367-68.7204-126.1382-8.3039
276.3808-0.647-1.4048.4593-0.57036.0478-0.341-0.69870.01770.50260.38180.72790.2389-0.1767-0.02060.70160.0039-0.03010.95320.07370.5458-81.5493-121.541210.855
285.9091.2247-0.37186.9465-2.60864.9130.096-1.054-0.53390.347-0.3866-0.64190.24960.55630.20080.76290.0059-0.04140.97530.05790.7171-75.3797-122.725713.599
295.3893-0.1744-2.69793.0639-0.87335.63320.20460.706-1.1336-0.681-0.40230.41260.3995-0.3060.24811.01970.0815-0.15150.8914-0.21150.9914-94.2978-138.0556-16.8578
305.92332.53190.25745.3688-1.27825.02170.23470.12980.9268-0.6511-0.24180.6061-0.09090.25650.11880.96050.07460.05630.9257-0.08830.7629-95.103-132.2015-13.5812
313.18981.2320.38054.01010.73166.8503-0.0257-0.1991-0.52520.21930.0435-0.46721.09940.55590.080.9542-0.06090.04860.8095-0.02690.7383-89.7103-147.33653.8301
324.0364-0.1486-2.03572.48-0.89637.4940.0595-0.0997-0.41010.2608-0.0940.26821.2655-0.1365-0.02360.8722-0.036-0.0610.7288-0.04720.9811-95.9927-145.53685.6362
334.5809-0.4392-0.72066.09161.13075.8335-0.3406-0.12260.9001-0.331-0.45160.9811-0.4106-1.4060.80551.19830.4299-0.05631.1630.10041.1754-9.8173-111.20613.7318
343.6566-2.4314-1.15045.1453-1.46745.6780.71310.84550.5775-0.778-0.78840.6655-1.6415-0.95010.08251.39590.55270.06251.41470.13491.3553-6.5249-106.036411.0408
353.62850.22140.85695.224-1.01336.2214-0.17610.5936-0.2465-0.16970.289-0.13050.02670.28080.02521.03360.28170.09461.14490.0141.109510.1465-122.616211.3121
363.5044-0.7993-0.96366.0876-1.48996.9870.2239-0.0431-0.4506-0.0224-0.2524-0.5531-0.57780.6075-0.00841.07250.23940.03820.9492-0.02431.198312.7062-117.834615.5648
374.57661.44850.933410.0094-1.34765.02530.030.72530.0538-1.08150.59771.2742-0.0865-0.1382-0.71281.0828-0.0138-0.22350.86580.00631.2685-32.1992-55.02698.6917
384.82760.82371.95564.9878-0.09026.7938-0.6576-0.0275-0.41140.25490.48051.4155-0.5599-0.2460.1381.2216-0.0984-0.09840.84140.09991.7384-34.1695-50.916313.522
396.38142.92731.72788.589-3.50675.70730.3047-0.4902-0.97292.10410.2246-3.01540.33510.8658-0.06931.4214-0.1148-0.72480.90690.04941.8917-18.2997-64.657424.5685
404.46840.60711.69773.8523-2.56265.0050.4814-0.7703-0.70761.4965-0.0884-0.37390.5095-0.4009-0.44931.59290.003-0.24831.01790.01221.2637-24.1779-65.900328.1336
415.9043-2.21861.73525.1787-1.52354.1034-0.9565-1.894-0.15261.31010.87140.0024-0.5811-0.83260.10751.45130.341-0.20261.41240.01330.9655-87.0068-147.622265.7365
425.0127-2.30122.368.7107-2.51556.9217-1.4576-1.95690.4812.15290.9305-1.239-1.8941-1.11160.25661.6480.421-0.35481.2083-0.13831.0056-83.7804-141.902663.7063
433.9607-4.61111.73715.3441-2.12618.32390.1266-0.6346-0.5535-0.5760.3910.86350.5756-1.6826-0.38920.9211-0.05240.0381.00490.12990.8427-93.9615-149.755543.7457
448.308-4.02071.53664.5257-2.76538.69690.61390.33-0.1629-0.5286-0.16050.55610.9595-0.2472-0.29571.03630.0183-0.03820.73320.1010.8545-87.4944-150.012642.2667
459.22082.22880.05094.979-0.95794.60320.4617-0.8224-1.50180.9633-0.4676-0.2571.13340.414-0.40941.6409-0.4563-0.24711.481-0.04742.0013-115.6324-163.8026-4.0881
465.90571.44621.98917.2516-1.65862.33851.37080.1541-1.82640.9797-0.9358-0.95741.27740.2911-1.19661.8574-0.2414-0.41731.40680.01711.9175-109.884-164.2482-7.5994
476.21673.95373.54993.43440.53054.6298-0.83010.74292.6235-0.22180.71490.34-0.5028-0.22530.20941.3616-0.2414-0.13471.4596-0.11992.2534-119.7746-143.9352-14.8784
483.17970.70431.91987.06151.09544.2459-0.42570.62441.1246-1.13410.13540.9326-0.3737-0.3902-0.47861.5819-0.2528-0.32421.46580.08081.9949-119.757-147.3393-20.842
492.9703-1.1964-0.90090.9967-1.62067.57630.33681.7329-0.1424-0.1794-0.57841.6957-0.0117-4.36180.2011.7107-0.1243-0.05243.8658-0.46111.6964-7.0498-115.6936-13.2833
504.49441.3661-4.84715.8374-2.7129.3316-0.4171.6012-0.7845-0.17510.12181.8817-0.3762-4.6480.21891.7780.2345-0.22113.6632-0.2791.698-6.6469-109.5067-16.6645
517.2681.9569-0.89194.31393.62216.185-1.1823-0.0425-0.76960.88680.2804-1.3084-0.44010.49040.64641.570.40760.18821.82830.22681.551916.4808-114.9313-14.5949
525.4403-0.11560.07662.09961.46526.50280.026-0.78230.76330.6595-0.7786-0.2915-0.5891.22110.57331.4884-0.0478-0.01181.84960.22471.785815.8923-109.0714-11.0907
534.70661.14561.09626.2102-0.21542.8322-0.46311.3029-0.7144-0.97810.2104-0.01720.71440.00780.17231.3023-0.0922-0.051.1321-0.13690.6567-11.2226-37.110911.9902
543.20341.77860.2064.5153-0.32635.9692-0.31591.27510.5089-0.72950.35520.2387-0.45450.40670.10391.396-0.2679-0.04461.170.05390.67-14.1164-31.313214.2464
555.51172.09950.77274.03330.07935.78990.1906-0.3017-0.57420.62960.1082-1.0420.52740.8928-0.20291.4164-0.2025-0.0550.9615-0.00740.8493-6.8348-41.141834.3383
564.94551.89290.59414.34782.75979.2430.769-0.4788-0.3620.4279-0.2418-0.42191.17520.3374-0.46951.3806-0.2198-0.12950.95780.07830.8038-13.5768-41.068235.1468
576.849-0.07232.76573.5136-0.1583.738-0.1454-0.0187-0.12120.4860.36150.18720.3806-0.4351-0.06691.0643-0.0399-0.15220.8202-0.07911.1141-69.8962-196.369463.8888
584.08710.07672.14773.74741.53937.93220.4650.6427-1.25660.29650.093-0.1731.35420.7754-0.59961.1745-0.0196-0.09630.914-0.07911.3311-67.7157-200.715559.0168
594.86390.96740.46693.87831.35773.7138-0.20770.2135-0.2707-0.29740.9553-1.0332-0.02341.3167-0.65970.96850.1029-0.1331.2852-0.08291.7128-48.4936-187.54262.5198
602.0321.3822-1.55754.21190.6233.8856-0.07670.43290.7987-0.48520.6961-0.6293-0.11960.9437-0.56440.8904-0.0585-0.18771.3934-0.03331.3416-50.1694-186.129856.0097
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain 'A' and resid 890 through 966)
2X-RAY DIFFRACTION2(chain 'B' and resid 890 through 966)
3X-RAY DIFFRACTION3(chain 'C' and resid 890 through 966)
4X-RAY DIFFRACTION4(chain 'D' and resid 890 through 966)
5X-RAY DIFFRACTION5(chain 'E' and resid 890 through 966)
6X-RAY DIFFRACTION6(chain 'F' and resid 890 through 966)
7X-RAY DIFFRACTION7(chain 'G' and resid 890 through 966)
8X-RAY DIFFRACTION8(chain 'H' and resid 890 through 966)
9X-RAY DIFFRACTION9(chain 'I' and resid 890 through 966)
10X-RAY DIFFRACTION10(chain 'J' and resid 890 through 966)
11X-RAY DIFFRACTION11(chain 'K' and resid 890 through 966)
12X-RAY DIFFRACTION12(chain 'L' and resid 890 through 966)
13X-RAY DIFFRACTION13(chain 'M' and resid 890 through 966)
14X-RAY DIFFRACTION14(chain 'N' and resid 890 through 966)
15X-RAY DIFFRACTION15(chain 'O' and resid 890 through 966)
16X-RAY DIFFRACTION16(chain 'P' and resid 890 through 966)
17X-RAY DIFFRACTION17(chain 'Q' and resid 890 through 966)
18X-RAY DIFFRACTION18(chain 'R' and resid 890 through 966)
19X-RAY DIFFRACTION19(chain 'S' and resid 890 through 966)
20X-RAY DIFFRACTION20(chain 'T' and resid 890 through 966)
21X-RAY DIFFRACTION21(chain 'U' and resid 890 through 966)
22X-RAY DIFFRACTION22(chain 'V' and resid 890 through 966)
23X-RAY DIFFRACTION23(chain 'W' and resid 890 through 966)
24X-RAY DIFFRACTION24(chain 'X' and resid 890 through 966)
25X-RAY DIFFRACTION25(chain 'Y' and resid 890 through 966)
26X-RAY DIFFRACTION26(chain 'Z' and resid 890 through 966)
27X-RAY DIFFRACTION27(chain '1' and resid 890 through 966)
28X-RAY DIFFRACTION28(chain '2' and resid 890 through 966)
29X-RAY DIFFRACTION29(chain '3' and resid 890 through 966)
30X-RAY DIFFRACTION30(chain '4' and resid 890 through 966)
31X-RAY DIFFRACTION31(chain '5' and resid 890 through 966)
32X-RAY DIFFRACTION32(chain '6' and resid 890 through 966)
33X-RAY DIFFRACTION33(chain '7' and resid 890 through 966)
34X-RAY DIFFRACTION34(chain '8' and resid 890 through 966)
35X-RAY DIFFRACTION35(chain '9' and resid 890 through 966)
36X-RAY DIFFRACTION36(chain 'a' and resid 890 through 966)
37X-RAY DIFFRACTION37(chain 'b' and resid 890 through 966)
38X-RAY DIFFRACTION38(chain 'c' and resid 890 through 966)
39X-RAY DIFFRACTION39(chain 'd' and resid 890 through 966)
40X-RAY DIFFRACTION40(chain 'e' and resid 890 through 966)
41X-RAY DIFFRACTION41(chain 'f' and resid 890 through 966)
42X-RAY DIFFRACTION42(chain 'g' and resid 890 through 966)
43X-RAY DIFFRACTION43(chain 'h' and resid 890 through 966)
44X-RAY DIFFRACTION44(chain 'i' and resid 890 through 966)
45X-RAY DIFFRACTION45(chain 'j' and resid 890 through 966)
46X-RAY DIFFRACTION46(chain 'k' and resid 890 through 966)
47X-RAY DIFFRACTION47(chain 'l' and resid 890 through 966)
48X-RAY DIFFRACTION48(chain 'm' and resid 890 through 966)
49X-RAY DIFFRACTION49(chain 'n' and resid 890 through 966)
50X-RAY DIFFRACTION50(chain 'o' and resid 890 through 966)
51X-RAY DIFFRACTION51(chain 'p' and resid 890 through 966)
52X-RAY DIFFRACTION52(chain 'q' and resid 890 through 966)
53X-RAY DIFFRACTION53(chain 'r' and resid 890 through 966)
54X-RAY DIFFRACTION54(chain 's' and resid 890 through 966)
55X-RAY DIFFRACTION55(chain 't' and resid 890 through 966)
56X-RAY DIFFRACTION56(chain 'u' and resid 890 through 966)
57X-RAY DIFFRACTION57(chain 'v' and resid 890 through 966)
58X-RAY DIFFRACTION58(chain 'w' and resid 890 through 966)
59X-RAY DIFFRACTION59(chain 'x' and resid 890 through 966)
60X-RAY DIFFRACTION60(chain 'y' and resid 890 through 966)

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