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- PDB-9scw: Crystal structure of Coxsackie B1 virus-like particle delta-palxa -

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Basic information

Entry
Database: PDB / ID: 9scw
TitleCrystal structure of Coxsackie B1 virus-like particle delta-palxa
Components
  • Capsid protein VP1
  • Capsid protein VP2
  • Capsid protein VP3
  • Capsid protein VP4
KeywordsVIRUS LIKE PARTICLE / coxsackievirus B1 / VIRUS-LIKE PARTICLE
Function / homology
Function and homology information


symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / nucleoside-triphosphate phosphatase / channel activity / monoatomic ion transmembrane transport ...symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / nucleoside-triphosphate phosphatase / channel activity / monoatomic ion transmembrane transport / DNA replication / RNA helicase activity / endocytosis involved in viral entry into host cell / symbiont-mediated activation of host autophagy / RNA-directed RNA polymerase / cysteine-type endopeptidase activity / viral RNA genome replication / RNA-directed RNA polymerase activity / DNA-templated transcription / virion attachment to host cell / host cell nucleus / structural molecule activity / ATP hydrolysis activity / proteolysis / RNA binding / zinc ion binding / ATP binding / membrane
Similarity search - Function
Picornavirus coat protein VP4 superfamily / Picornavirus coat protein / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein / Peptidase C3, picornavirus core protein 2A / Picornavirus core protein 2A / Picornavirus coat protein VP4 ...Picornavirus coat protein VP4 superfamily / Picornavirus coat protein / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein / Peptidase C3, picornavirus core protein 2A / Picornavirus core protein 2A / Picornavirus coat protein VP4 / Picornavirus coat protein (VP4) / Peptidase C3A/C3B, picornaviral / 3C cysteine protease (picornain 3C) / Picornavirales 3C/3C-like protease domain / Picornavirales 3C/3C-like protease domain profile. / Picornavirus capsid / picornavirus capsid protein / Helicase, superfamily 3, single-stranded RNA virus / Superfamily 3 helicase of positive ssRNA viruses domain profile. / Helicase, superfamily 3, single-stranded DNA/RNA virus / RNA helicase / Picornavirus/Calicivirus coat protein / Viral coat protein subunit / RNA-directed RNA polymerase, C-terminal domain / Viral RNA-dependent RNA polymerase / Reverse transcriptase/Diguanylate cyclase domain / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
MYRISTIC ACID / Genome polyprotein
Similarity search - Component
Biological speciesCoxsackievirus B1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å
AuthorsHaikarainen, T.
Funding support Finland, 1items
OrganizationGrant numberCountry
Academy of Finland Finland
CitationJournal: J.Biomed.Sci. / Year: 2025
Title: Coxsackie B1 virus-like particle vaccine modified to exclude a highly conserved immunoreactive region from the capsid induces potent neutralizing antibodies and protects against infection in mice.
Authors: Soppela, S. / Gonzalez-Rodriguez, M. / Stone, V.M. / Mustonen, I. / Jouppila, N.V.V. / Lampinen, V. / Haikarainen, T. / Flodstrom-Tullberg, M. / Junttila, I.S. / Hankaniemi, M.M.
History
DepositionAug 12, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 8, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,778,61774
Polymers1,777,70470
Non-polymers9134
Water00
1
1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules

1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules

1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules

1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules

1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules

1: Capsid protein VP1
2: Capsid protein VP2
3: Capsid protein VP3
4: Capsid protein VP4
A: Capsid protein VP1
B: Capsid protein VP2
C: Capsid protein VP3
D: Capsid protein VP4
E: Capsid protein VP1
F: Capsid protein VP2
G: Capsid protein VP3
H: Capsid protein VP4
Y: Capsid protein VP1
Z: Capsid protein VP2
a: Capsid protein VP3
b: Capsid protein VP4
g: Capsid protein VP1
h: Capsid protein VP2
i: Capsid protein VP3
j: Capsid protein VP4
I: Capsid protein VP1
J: Capsid protein VP2
K: Capsid protein VP3
L: Capsid protein VP4
M: Capsid protein VP1
N: Capsid protein VP2
O: Capsid protein VP3
P: Capsid protein VP4
Q: Capsid protein VP1
R: Capsid protein VP2
S: Capsid protein VP3
T: Capsid protein VP4
U: Capsid protein VP1
V: Capsid protein VP2
W: Capsid protein VP3
X: Capsid protein VP4
c: Capsid protein VP1
d: Capsid protein VP2
e: Capsid protein VP3
f: Capsid protein VP4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,563,540264
Polymers5,558,059240
Non-polymers5,48124
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_565-y,x-y+1,z1
crystal symmetry operation3_455-x+y-1,-x,z1
crystal symmetry operation4_555-y,-x,-z1
crystal symmetry operation5_455-x+y-1,y,-z1
crystal symmetry operation6_565x,x-y+1,-z1
2
k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3

k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3

k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3

k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3

k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3

k: Capsid protein VP1
l: Capsid protein VP2
m: Capsid protein VP3
o: Capsid protein VP1
p: Capsid protein VP2
q: Capsid protein VP3
s: Capsid protein VP1
t: Capsid protein VP2
u: Capsid protein VP3
w: Capsid protein VP1
x: Capsid protein VP2
y: Capsid protein VP3
0: Capsid protein VP1
5: Capsid protein VP2
6: Capsid protein VP3
8: Capsid protein VP1
9: Capsid protein VP2
AA: Capsid protein VP3
AC: Capsid protein VP1
AD: Capsid protein VP2
AE: Capsid protein VP3
AG: Capsid protein VP1
AH: Capsid protein VP2
AI: Capsid protein VP3
AK: Capsid protein VP1
AL: Capsid protein VP2
AM: Capsid protein VP3
AO: Capsid protein VP1
AP: Capsid protein VP2
AQ: Capsid protein VP3


Theoretical massNumber of molelcules
Total (without water)5,108,163180
Polymers5,108,163180
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_665-y+1,x-y+1,z1
crystal symmetry operation3_565-x+y,-x+1,z1
crystal symmetry operation4_664-y+1,-x+1,-z-11
crystal symmetry operation5_554-x+y,y,-z-11
crystal symmetry operation6_564x,x-y+1,-z-11
Unit cell
Length a, b, c (Å)343.999, 343.999, 457.065
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number149
Space group name H-MP312
Space group name HallP32
Symmetry operation#1: x,y,z
#2: -y,x-y,z
#3: -x+y,-x,z
#4: -y,-x,-z
#5: -x+y,y,-z
#6: x,x-y,-z

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Components

#1: Protein
Capsid protein VP1 / P1D / Virion protein 1


Mass: 29729.490 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Details: SESIPALTAAETGHT deletion / Source: (gene. exp.) Coxsackievirus B1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P08291
#2: Protein
Capsid protein VP2 / P1B / Virion protein 2


Mass: 29137.799 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Coxsackievirus B1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P08291
#3: Protein
Capsid protein VP3 / P1C / Virion protein 3


Mass: 26268.756 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Coxsackievirus B1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P08291
#4: Protein
Capsid protein VP4


Mass: 7498.273 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Coxsackievirus B1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P08291
#5: Chemical
ChemComp-MYR / MYRISTIC ACID


Mass: 228.371 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C14H28O2 / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interestY
Has protein modificationN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 4.39 Å3/Da / Density % sol: 71.99 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 0.1M Na-acetate pH 6.5, 1.5M lithium sulfate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 13, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 3.2→97.04 Å / Num. obs: 997876 / % possible obs: 99.8 % / Redundancy: 8.6 % / Biso Wilson estimate: 95.44 Å2 / CC1/2: 0.943 / Net I/σ(I): 3
Reflection shellResolution: 3.2→3.39 Å / Redundancy: 9.3 % / Num. unique obs: 160562 / CC1/2: 0.211 / % possible all: 99.3

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Processing

Software
NameVersionClassification
PHENIX1.21.1_5286refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.2→97.04 Å / SU ML: 0.7052 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 38.3919
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.3097 49339 5 %
Rwork0.2932 937257 -
obs0.2941 986596 98.67 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 96.92 Å2
Refinement stepCycle: LAST / Resolution: 3.2→97.04 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms108373 0 64 0 108437
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0031111369
X-RAY DIFFRACTIONf_angle_d0.6043152542
X-RAY DIFFRACTIONf_chiral_restr0.044917210
X-RAY DIFFRACTIONf_plane_restr0.004719720
X-RAY DIFFRACTIONf_dihedral_angle_d13.549138850
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.2-3.230.473114100.485426826X-RAY DIFFRACTION84.64
3.23-3.270.503215240.476828842X-RAY DIFFRACTION91.02
3.27-3.310.463315960.458130602X-RAY DIFFRACTION96.72
3.31-3.350.467216310.456131086X-RAY DIFFRACTION98.48
3.35-3.40.456416540.448331485X-RAY DIFFRACTION99.1
3.4-3.450.432416540.428231516X-RAY DIFFRACTION99.57
3.45-3.490.418316650.41431522X-RAY DIFFRACTION99.65
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