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- PDB-6igc: Crystal structure of HPV58/33/52 chimeric L1 pentamer -

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Basic information

Entry
Database: PDB / ID: 6igc
TitleCrystal structure of HPV58/33/52 chimeric L1 pentamer
ComponentsMajor capsid protein L1
KeywordsSTRUCTURAL PROTEIN / capsid protein
Function / homology
Function and homology information


T=7 icosahedral viral capsid / endocytosis involved in viral entry into host cell / host cell nucleus / virion attachment to host cell / structural molecule activity
Similarity search - Function
Major capsid L1 (late) protein, Papillomavirus / Major capsid L1 (late) superfamily, Papillomavirus / L1 (late) protein / Double-stranded DNA virus, group I, capsid
Similarity search - Domain/homology
Major capsid protein L1
Similarity search - Component
Biological speciesHuman papillomavirus type 58
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å
AuthorsLi, Z.H. / Song, S. / He, M.Z. / Gu, Y. / Li, S.W.
Funding support China, 6items
OrganizationGrant numberCountry
National Natural Science Foundation of China81701637 China
National Science Foundation (China)81701637 China
National Natural Science Foundation of ChinaU1705283 China
National Science Foundation (China)U1705283 China
National Natural Science Foundation of China31670935 China
National Science Foundation (China)31670935 China
CitationJournal: Nat Commun / Year: 2018
Title: Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Authors: Zhihai Li / Shuo Song / Maozhou He / Daning Wang / Jingjie Shi / Xinlin Liu / Yunbing Li / Xin Chi / Shuangping Wei / Yurou Yang / Zhiping Wang / Jinjin Li / Huilian Qian / Hai Yu / Qingbing ...Authors: Zhihai Li / Shuo Song / Maozhou He / Daning Wang / Jingjie Shi / Xinlin Liu / Yunbing Li / Xin Chi / Shuangping Wei / Yurou Yang / Zhiping Wang / Jinjin Li / Huilian Qian / Hai Yu / Qingbing Zheng / Xiaodong Yan / Qinjian Zhao / Jun Zhang / Ying Gu / Shaowei Li / Ningshao Xia /
Abstract: Sequence variability in surface-antigenic sites of pathogenic proteins is an important obstacle in vaccine development. Over 200 distinct genomic sequences have been identified for human ...Sequence variability in surface-antigenic sites of pathogenic proteins is an important obstacle in vaccine development. Over 200 distinct genomic sequences have been identified for human papillomavirus (HPV), of which more than 18 are associated with cervical cancer. Here, based on the high structural similarity of L1 surface loops within a group of phylogenetically close HPV types, we design a triple-type chimera of HPV33/58/52 using loop swapping. The chimeric VLPs elicit neutralization titers comparable with a mix of the three wild-type VLPs both in mice and non-human primates. This engineered region of the chimeric protein recapitulates the conformational contours of the antigenic surfaces of the parental-type proteins, offering a basis for this high immunity. Our stratagem is equally successful in developing other triplet-type chimeras (HPV16/35/31, HPV56/66/53, HPV39/68/70, HPV18/45/59), paving the way for the development of an improved HPV prophylactic vaccine against all carcinogenic HPV strains. This technique may also be extrapolated to other microbes.
History
DepositionSep 25, 2018Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 21, 2018Provider: repository / Type: Initial release
Revision 1.1Jan 2, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Nov 22, 2023Group: 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 / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Major capsid protein L1
B: Major capsid protein L1
C: Major capsid protein L1
D: Major capsid protein L1
E: Major capsid protein L1
F: Major capsid protein L1
G: Major capsid protein L1
H: Major capsid protein L1
I: Major capsid protein L1
J: Major capsid protein L1
K: Major capsid protein L1
L: Major capsid protein L1
M: Major capsid protein L1
N: Major capsid protein L1
O: Major capsid protein L1
P: Major capsid protein L1
Q: Major capsid protein L1
R: Major capsid protein L1
S: Major capsid protein L1
T: Major capsid protein L1
U: Major capsid protein L1
V: Major capsid protein L1
W: Major capsid protein L1
X: Major capsid protein L1
Y: Major capsid protein L1
Z: Major capsid protein L1
a: Major capsid protein L1
b: Major capsid protein L1
c: Major capsid protein L1
d: Major capsid protein L1
e: Major capsid protein L1
f: Major capsid protein L1
g: Major capsid protein L1
h: Major capsid protein L1
i: Major capsid protein L1
j: Major capsid protein L1
k: Major capsid protein L1
l: Major capsid protein L1
m: Major capsid protein L1
n: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)2,365,77240
Polymers2,365,77240
Non-polymers00
Water00
1
A: Major capsid protein L1
B: Major capsid protein L1
C: Major capsid protein L1
D: Major capsid protein L1
E: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36010 Å2
ΔGint-209 kcal/mol
Surface area75370 Å2
MethodPISA
2
F: Major capsid protein L1
G: Major capsid protein L1
H: Major capsid protein L1
I: Major capsid protein L1
J: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36380 Å2
ΔGint-205 kcal/mol
Surface area75050 Å2
MethodPISA
3
K: Major capsid protein L1
L: Major capsid protein L1
M: Major capsid protein L1
N: Major capsid protein L1
O: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36250 Å2
ΔGint-208 kcal/mol
Surface area74690 Å2
MethodPISA
4
P: Major capsid protein L1
Q: Major capsid protein L1
R: Major capsid protein L1
S: Major capsid protein L1
T: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36270 Å2
ΔGint-212 kcal/mol
Surface area75090 Å2
MethodPISA
5
U: Major capsid protein L1
V: Major capsid protein L1
W: Major capsid protein L1
X: Major capsid protein L1
Y: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36220 Å2
ΔGint-209 kcal/mol
Surface area74420 Å2
MethodPISA
6
Z: Major capsid protein L1
a: Major capsid protein L1
b: Major capsid protein L1
c: Major capsid protein L1
d: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36540 Å2
ΔGint-207 kcal/mol
Surface area74620 Å2
MethodPISA
7
e: Major capsid protein L1
f: Major capsid protein L1
g: Major capsid protein L1
h: Major capsid protein L1
i: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35030 Å2
ΔGint-197 kcal/mol
Surface area76240 Å2
MethodPISA
8
j: Major capsid protein L1
k: Major capsid protein L1
l: Major capsid protein L1
m: Major capsid protein L1
n: Major capsid protein L1


Theoretical massNumber of molelcules
Total (without water)295,7225
Polymers295,7225
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area36070 Å2
ΔGint-209 kcal/mol
Surface area75550 Å2
MethodPISA
Unit cell
Length a, b, c (Å)136.543, 209.761, 212.630
Angle α, β, γ (deg.)60.500, 85.070, 90.120
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 22 through 54 or resid 61...
21(chain B and (resid 22 through 54 or resid 61...
31(chain C and (resid 22 through 54 or resid 61...
41(chain D and (resid 22 through 54 or resid 61...
51(chain E and (resid 22 through 157 or resid 159 through 175 or resid 183 through 473))
61(chain F and (resid 22 through 54 or resid 61...
71(chain G and (resid 22 through 54 or resid 61...
81(chain H and (resid 22 through 54 or resid 61...
91(chain I and (resid 22 through 54 or resid 61...
101(chain J and (resid 22 through 54 or resid 61...
111(chain K and (resid 22 through 54 or resid 61...
121(chain L and (resid 22 through 54 or resid 61...
131(chain M and (resid 22 through 54 or resid 61...
141(chain N and (resid 22 through 54 or resid 61...
151(chain O and (resid 22 through 54 or resid 61...
161(chain P and (resid 22 through 54 or resid 61...
171(chain Q and (resid 22 through 54 or resid 61...
181(chain R and (resid 22 through 54 or resid 61...
191(chain S and (resid 22 through 54 or resid 61...
201(chain T and (resid 22 through 54 or resid 61...
211(chain U and (resid 22 through 54 or resid 61...
221(chain V and (resid 22 through 54 or resid 61...
231(chain W and (resid 22 through 54 or resid 61...
241(chain X and (resid 22 through 54 or resid 61...
251(chain Y and (resid 22 through 54 or resid 61...
261(chain Z and (resid 22 through 54 or resid 61...
271(chain a and (resid 22 through 54 or resid 61...
281(chain b and (resid 22 through 54 or resid 61...
291(chain c and (resid 22 through 54 or resid 61...
301(chain d and (resid 22 through 54 or resid 61...
311(chain e and (resid 22 through 54 or resid 61...
321(chain f and (resid 22 through 54 or resid 61...
331(chain g and (resid 22 through 54 or resid 61...
341(chain h and (resid 22 through 54 or resid 61...
351(chain i and (resid 22 through 54 or resid 61...
361(chain j and (resid 22 through 54 or resid 61...
371(chain k and (resid 22 through 54 or resid 61...
381(chain l and (resid 22 through 54 or resid 61...
391(chain m and (resid 22 through 54 or resid 61...
401(chain n and (resid 22 through 54 or resid 61...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11VALVALASNASN(chain A and (resid 22 through 54 or resid 61...AA22 - 5448 - 80
12LEULEULEULEU(chain A and (resid 22 through 54 or resid 61...AA61 - 15787 - 183
13LEULEUALAALA(chain A and (resid 22 through 54 or resid 61...AA159 - 175185 - 201
14THRTHRPHEPHE(chain A and (resid 22 through 54 or resid 61...AA183 - 403209 - 429
15ASPASPLEULEU(chain A and (resid 22 through 54 or resid 61...AA438 - 473464 - 499
21VALVALASNASN(chain B and (resid 22 through 54 or resid 61...BB22 - 5448 - 80
22LEULEULEULEU(chain B and (resid 22 through 54 or resid 61...BB61 - 15787 - 183
23LEULEUPHEPHE(chain B and (resid 22 through 54 or resid 61...BB159 - 403185 - 429
24ASPASPLEULEU(chain B and (resid 22 through 54 or resid 61...BB438 - 473464 - 499
31VALVALASNASN(chain C and (resid 22 through 54 or resid 61...CC22 - 5448 - 80
32LEULEULEULEU(chain C and (resid 22 through 54 or resid 61...CC61 - 15787 - 183
33LEULEUALAALA(chain C and (resid 22 through 54 or resid 61...CC159 - 175185 - 201
34THRTHRPHEPHE(chain C and (resid 22 through 54 or resid 61...CC183 - 403209 - 429
35ASPASPLEULEU(chain C and (resid 22 through 54 or resid 61...CC438 - 473464 - 499
41VALVALASNASN(chain D and (resid 22 through 54 or resid 61...DD22 - 5448 - 80
42LEULEULEULEU(chain D and (resid 22 through 54 or resid 61...DD61 - 15787 - 183
43LEULEUALAALA(chain D and (resid 22 through 54 or resid 61...DD159 - 175185 - 201
44THRTHRLEULEU(chain D and (resid 22 through 54 or resid 61...DD183 - 473209 - 499
51VALVALLEULEU(chain E and (resid 22 through 157 or resid 159 through 175 or resid 183 through 473))EE22 - 15748 - 183
52LEULEUALAALA(chain E and (resid 22 through 157 or resid 159 through 175 or resid 183 through 473))EE159 - 175185 - 201
53THRTHRLEULEU(chain E and (resid 22 through 157 or resid 159 through 175 or resid 183 through 473))EE183 - 473209 - 499
61VALVALASNASN(chain F and (resid 22 through 54 or resid 61...FF22 - 5448 - 80
62LEULEULEULEU(chain F and (resid 22 through 54 or resid 61...FF61 - 15787 - 183
63LEULEUALAALA(chain F and (resid 22 through 54 or resid 61...FF159 - 175185 - 201
64THRTHRPHEPHE(chain F and (resid 22 through 54 or resid 61...FF183 - 403209 - 429
65ASPASPLEULEU(chain F and (resid 22 through 54 or resid 61...FF438 - 473464 - 499
71VALVALASNASN(chain G and (resid 22 through 54 or resid 61...GG22 - 5448 - 80
72LEULEULEULEU(chain G and (resid 22 through 54 or resid 61...GG61 - 15787 - 183
73LEULEUPHEPHE(chain G and (resid 22 through 54 or resid 61...GG159 - 403185 - 429
74ASPASPLEULEU(chain G and (resid 22 through 54 or resid 61...GG438 - 473464 - 499
81VALVALASNASN(chain H and (resid 22 through 54 or resid 61...HH22 - 5448 - 80
82LEULEULEULEU(chain H and (resid 22 through 54 or resid 61...HH61 - 15787 - 183
83LEULEUALAALA(chain H and (resid 22 through 54 or resid 61...HH159 - 175185 - 201
84THRTHRPHEPHE(chain H and (resid 22 through 54 or resid 61...HH183 - 403209 - 429
85ASPASPLEULEU(chain H and (resid 22 through 54 or resid 61...HH438 - 473464 - 499
91VALVALASNASN(chain I and (resid 22 through 54 or resid 61...II22 - 5448 - 80
92LEULEULEULEU(chain I and (resid 22 through 54 or resid 61...II61 - 15787 - 183
93LEULEUALAALA(chain I and (resid 22 through 54 or resid 61...II159 - 175185 - 201
94THRTHRLEULEU(chain I and (resid 22 through 54 or resid 61...II183 - 473209 - 499
101VALVALASNASN(chain J and (resid 22 through 54 or resid 61...JJ22 - 5448 - 80
102LEULEULEULEU(chain J and (resid 22 through 54 or resid 61...JJ61 - 15787 - 183
103LEULEUALAALA(chain J and (resid 22 through 54 or resid 61...JJ159 - 175185 - 201
104THRTHRLEULEU(chain J and (resid 22 through 54 or resid 61...JJ183 - 473209 - 499
111VALVALASNASN(chain K and (resid 22 through 54 or resid 61...KK22 - 5448 - 80
112LEULEULEULEU(chain K and (resid 22 through 54 or resid 61...KK61 - 15787 - 183
113LEULEUALAALA(chain K and (resid 22 through 54 or resid 61...KK159 - 175185 - 201
114VALVALLEULEU(chain K and (resid 22 through 54 or resid 61...KK21 - 47347 - 499
121VALVALASNASN(chain L and (resid 22 through 54 or resid 61...LL22 - 5448 - 80
122LEULEULEULEU(chain L and (resid 22 through 54 or resid 61...LL61 - 15787 - 183
123LEULEUPHEPHE(chain L and (resid 22 through 54 or resid 61...LL159 - 403185 - 429
124ASPASPLEULEU(chain L and (resid 22 through 54 or resid 61...LL438 - 473464 - 499
131VALVALASNASN(chain M and (resid 22 through 54 or resid 61...MM22 - 5448 - 80
132LEULEULEULEU(chain M and (resid 22 through 54 or resid 61...MM61 - 15787 - 183
133LEULEUALAALA(chain M and (resid 22 through 54 or resid 61...MM159 - 175185 - 201
134LYSLYSLEULEU(chain M and (resid 22 through 54 or resid 61...MM20 - 47346 - 499
141VALVALASNASN(chain N and (resid 22 through 54 or resid 61...NN22 - 5448 - 80
142LEULEULEULEU(chain N and (resid 22 through 54 or resid 61...NN61 - 15787 - 183
143LEULEUALAALA(chain N and (resid 22 through 54 or resid 61...NN159 - 175185 - 201
144THRTHRLEULEU(chain N and (resid 22 through 54 or resid 61...NN183 - 473209 - 499
151VALVALASNASN(chain O and (resid 22 through 54 or resid 61...OO22 - 5448 - 80
152LEULEULEULEU(chain O and (resid 22 through 54 or resid 61...OO61 - 15787 - 183
153LEULEUALAALA(chain O and (resid 22 through 54 or resid 61...OO159 - 175185 - 201
154THRTHRLEULEU(chain O and (resid 22 through 54 or resid 61...OO183 - 473209 - 499
161VALVALASNASN(chain P and (resid 22 through 54 or resid 61...PP22 - 5448 - 80
162LEULEULEULEU(chain P and (resid 22 through 54 or resid 61...PP61 - 15787 - 183
163LEULEUALAALA(chain P and (resid 22 through 54 or resid 61...PP159 - 175185 - 201
164THRTHRPHEPHE(chain P and (resid 22 through 54 or resid 61...PP183 - 403209 - 429
165ASPASPLEULEU(chain P and (resid 22 through 54 or resid 61...PP438 - 473464 - 499
171VALVALASNASN(chain Q and (resid 22 through 54 or resid 61...QQ22 - 5448 - 80
172LEULEULEULEU(chain Q and (resid 22 through 54 or resid 61...QQ61 - 15787 - 183
173LEULEUPHEPHE(chain Q and (resid 22 through 54 or resid 61...QQ159 - 403185 - 429
174ASPASPLEULEU(chain Q and (resid 22 through 54 or resid 61...QQ438 - 473464 - 499
181VALVALASNASN(chain R and (resid 22 through 54 or resid 61...RR22 - 5448 - 80
182LEULEULEULEU(chain R and (resid 22 through 54 or resid 61...RR61 - 15787 - 183
183LEULEUALAALA(chain R and (resid 22 through 54 or resid 61...RR159 - 175185 - 201
184LYSLYSLEULEU(chain R and (resid 22 through 54 or resid 61...RR20 - 47346 - 499
191VALVALASNASN(chain S and (resid 22 through 54 or resid 61...SS22 - 5448 - 80
192LEULEULEULEU(chain S and (resid 22 through 54 or resid 61...SS61 - 15787 - 183
193LEULEUALAALA(chain S and (resid 22 through 54 or resid 61...SS159 - 175185 - 201
194THRTHRLEULEU(chain S and (resid 22 through 54 or resid 61...SS183 - 473209 - 499
201VALVALASNASN(chain T and (resid 22 through 54 or resid 61...TT22 - 5448 - 80
202LEULEULEULEU(chain T and (resid 22 through 54 or resid 61...TT61 - 15787 - 183
203LEULEUALAALA(chain T and (resid 22 through 54 or resid 61...TT159 - 175185 - 201
204THRTHRLEULEU(chain T and (resid 22 through 54 or resid 61...TT183 - 473209 - 499
211VALVALASNASN(chain U and (resid 22 through 54 or resid 61...UU22 - 5448 - 80
212LEULEULEULEU(chain U and (resid 22 through 54 or resid 61...UU61 - 15787 - 183
213LEULEUALAALA(chain U and (resid 22 through 54 or resid 61...UU159 - 175185 - 201
214THRTHRPHEPHE(chain U and (resid 22 through 54 or resid 61...UU183 - 403209 - 429
215ASPASPLEULEU(chain U and (resid 22 through 54 or resid 61...UU438 - 473464 - 499
221VALVALASNASN(chain V and (resid 22 through 54 or resid 61...VV22 - 5448 - 80
222LEULEULEULEU(chain V and (resid 22 through 54 or resid 61...VV61 - 15787 - 183
223LEULEUPHEPHE(chain V and (resid 22 through 54 or resid 61...VV159 - 403185 - 429
224ASPASPLEULEU(chain V and (resid 22 through 54 or resid 61...VV438 - 473464 - 499
231VALVALASNASN(chain W and (resid 22 through 54 or resid 61...WW22 - 5448 - 80
232LEULEULEULEU(chain W and (resid 22 through 54 or resid 61...WW61 - 15787 - 183
233LEULEUALAALA(chain W and (resid 22 through 54 or resid 61...WW159 - 175185 - 201
234THRTHRPHEPHE(chain W and (resid 22 through 54 or resid 61...WW183 - 403209 - 429
235ASPASPLEULEU(chain W and (resid 22 through 54 or resid 61...WW438 - 473464 - 499
241VALVALASNASN(chain X and (resid 22 through 54 or resid 61...XX22 - 5448 - 80
242LEULEULEULEU(chain X and (resid 22 through 54 or resid 61...XX61 - 15787 - 183
243LEULEUALAALA(chain X and (resid 22 through 54 or resid 61...XX159 - 175185 - 201
244THRTHRLEULEU(chain X and (resid 22 through 54 or resid 61...XX183 - 473209 - 499
251VALVALASNASN(chain Y and (resid 22 through 54 or resid 61...YY22 - 5448 - 80
252LEULEULEULEU(chain Y and (resid 22 through 54 or resid 61...YY61 - 15787 - 183
253LEULEUALAALA(chain Y and (resid 22 through 54 or resid 61...YY159 - 175185 - 201
254THRTHRLEULEU(chain Y and (resid 22 through 54 or resid 61...YY183 - 473209 - 499
261VALVALASNASN(chain Z and (resid 22 through 54 or resid 61...ZZ22 - 5448 - 80
262LEULEULEULEU(chain Z and (resid 22 through 54 or resid 61...ZZ61 - 15787 - 183
263LEULEUALAALA(chain Z and (resid 22 through 54 or resid 61...ZZ159 - 175185 - 201
264VALVALLEULEU(chain Z and (resid 22 through 54 or resid 61...ZZ21 - 47347 - 499
271VALVALASNASN(chain a and (resid 22 through 54 or resid 61...aAA22 - 5448 - 80
272LEULEULEULEU(chain a and (resid 22 through 54 or resid 61...aAA61 - 15787 - 183
273LEULEUPHEPHE(chain a and (resid 22 through 54 or resid 61...aAA159 - 403185 - 429
274ASPASPLEULEU(chain a and (resid 22 through 54 or resid 61...aAA438 - 473464 - 499
281VALVALASNASN(chain b and (resid 22 through 54 or resid 61...bBA22 - 5448 - 80
282LEULEULEULEU(chain b and (resid 22 through 54 or resid 61...bBA61 - 15787 - 183
283LEULEUALAALA(chain b and (resid 22 through 54 or resid 61...bBA159 - 175185 - 201
284THRTHRPHEPHE(chain b and (resid 22 through 54 or resid 61...bBA183 - 403209 - 429
285ASPASPLEULEU(chain b and (resid 22 through 54 or resid 61...bBA438 - 473464 - 499
291VALVALASNASN(chain c and (resid 22 through 54 or resid 61...cCA22 - 5448 - 80
292LEULEULEULEU(chain c and (resid 22 through 54 or resid 61...cCA61 - 15787 - 183
293LEULEUALAALA(chain c and (resid 22 through 54 or resid 61...cCA159 - 175185 - 201
294THRTHRLEULEU(chain c and (resid 22 through 54 or resid 61...cCA183 - 473209 - 499
301VALVALASNASN(chain d and (resid 22 through 54 or resid 61...dDA22 - 5448 - 80
302LEULEULEULEU(chain d and (resid 22 through 54 or resid 61...dDA61 - 15787 - 183
303LEULEUALAALA(chain d and (resid 22 through 54 or resid 61...dDA159 - 175185 - 201
304THRTHRLEULEU(chain d and (resid 22 through 54 or resid 61...dDA183 - 473209 - 499
311VALVALASNASN(chain e and (resid 22 through 54 or resid 61...eEA22 - 5448 - 80
312LEULEULEULEU(chain e and (resid 22 through 54 or resid 61...eEA61 - 15787 - 183
313LEULEUALAALA(chain e and (resid 22 through 54 or resid 61...eEA159 - 175185 - 201
314LYSLYSLEULEU(chain e and (resid 22 through 54 or resid 61...eEA20 - 47346 - 499
321VALVALASNASN(chain f and (resid 22 through 54 or resid 61...fFA22 - 5448 - 80
322LEULEULEULEU(chain f and (resid 22 through 54 or resid 61...fFA61 - 15787 - 183
323LEULEUPHEPHE(chain f and (resid 22 through 54 or resid 61...fFA159 - 403185 - 429
324ASPASPLEULEU(chain f and (resid 22 through 54 or resid 61...fFA438 - 473464 - 499
331VALVALASNASN(chain g and (resid 22 through 54 or resid 61...gGA22 - 5448 - 80
332LEULEULEULEU(chain g and (resid 22 through 54 or resid 61...gGA61 - 15787 - 183
333LEULEUALAALA(chain g and (resid 22 through 54 or resid 61...gGA159 - 175185 - 201
334THRTHRPHEPHE(chain g and (resid 22 through 54 or resid 61...gGA183 - 403209 - 429
335ASPASPLEULEU(chain g and (resid 22 through 54 or resid 61...gGA438 - 473464 - 499
341VALVALASNASN(chain h and (resid 22 through 54 or resid 61...hHA22 - 5448 - 80
342LEULEULEULEU(chain h and (resid 22 through 54 or resid 61...hHA61 - 15787 - 183
343LEULEUALAALA(chain h and (resid 22 through 54 or resid 61...hHA159 - 175185 - 201
344THRTHRLEULEU(chain h and (resid 22 through 54 or resid 61...hHA183 - 473209 - 499
351VALVALASNASN(chain i and (resid 22 through 54 or resid 61...iIA22 - 5448 - 80
352LEULEULEULEU(chain i and (resid 22 through 54 or resid 61...iIA61 - 15787 - 183
353LEULEUALAALA(chain i and (resid 22 through 54 or resid 61...iIA159 - 175185 - 201
354THRTHRLEULEU(chain i and (resid 22 through 54 or resid 61...iIA183 - 473209 - 499
361VALVALASNASN(chain j and (resid 22 through 54 or resid 61...jJA22 - 5448 - 80
362LEULEULEULEU(chain j and (resid 22 through 54 or resid 61...jJA61 - 15787 - 183
363LEULEUALAALA(chain j and (resid 22 through 54 or resid 61...jJA159 - 175185 - 201
364THRTHRPHEPHE(chain j and (resid 22 through 54 or resid 61...jJA183 - 403209 - 429
365ASPASPLEULEU(chain j and (resid 22 through 54 or resid 61...jJA438 - 473464 - 499
371VALVALASNASN(chain k and (resid 22 through 54 or resid 61...kKA22 - 5448 - 80
372LEULEULEULEU(chain k and (resid 22 through 54 or resid 61...kKA61 - 15787 - 183
373LEULEUPHEPHE(chain k and (resid 22 through 54 or resid 61...kKA159 - 403185 - 429
374ASPASPLEULEU(chain k and (resid 22 through 54 or resid 61...kKA438 - 473464 - 499
381VALVALASNASN(chain l and (resid 22 through 54 or resid 61...lLA22 - 5448 - 80
382LEULEULEULEU(chain l and (resid 22 through 54 or resid 61...lLA61 - 15787 - 183
383LEULEUALAALA(chain l and (resid 22 through 54 or resid 61...lLA159 - 175185 - 201
384THRTHRPHEPHE(chain l and (resid 22 through 54 or resid 61...lLA183 - 403209 - 429
385ASPASPLEULEU(chain l and (resid 22 through 54 or resid 61...lLA438 - 473464 - 499
391VALVALASNASN(chain m and (resid 22 through 54 or resid 61...mMA22 - 5448 - 80
392LEULEULEULEU(chain m and (resid 22 through 54 or resid 61...mMA61 - 15787 - 183
393LEULEUALAALA(chain m and (resid 22 through 54 or resid 61...mMA159 - 175185 - 201
394THRTHRLEULEU(chain m and (resid 22 through 54 or resid 61...mMA183 - 473209 - 499
401VALVALASNASN(chain n and (resid 22 through 54 or resid 61...nNA22 - 5448 - 80
402LEULEULEULEU(chain n and (resid 22 through 54 or resid 61...nNA61 - 15787 - 183
403LEULEUALAALA(chain n and (resid 22 through 54 or resid 61...nNA159 - 175185 - 201
404THRTHRLEULEU(chain n and (resid 22 through 54 or resid 61...nNA183 - 473209 - 499

-
Components

#1: Protein ...
Major capsid protein L1


Mass: 59144.301 Da / Num. of mol.: 40
Mutation: S80N, N82T, N84A, V87L, C202S, T375K, G378S, D383E
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human papillomavirus type 58 / Gene: L1 / Production host: Escherichia coli (E. coli) / Strain (production host): ER2566 / References: UniProt: P26535

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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: 2.23 Å3/Da / Density % sol: 44.89 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: 0.2M calcium acetate, 18% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.9795 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 8, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.5→50 Å / Num. obs: 248099 / % possible obs: 97 % / Redundancy: 1.9 % / Biso Wilson estimate: 63.48 Å2 / Rsym value: 0.171 / Net I/σ(I): 4.8
Reflection shellResolution: 3.5→3.56 Å / Num. unique obs: 11253 / Rsym value: 0.645

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Processing

Software
NameVersionClassification
HKL-2000data scaling
PHENIX1.11.1_2575refinement
PDB_EXTRACT3.24data extraction
HKL-2000data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5Y9E

5y9e


Resolution: 3.5→41.551 Å / SU ML: 0.48 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 41.74
RfactorNum. reflection% reflection
Rfree0.3402 12024 4.85 %
Rwork0.315 --
obs0.3162 248099 95.92 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 470.31 Å2 / Biso mean: 105.5379 Å2 / Biso min: 21.32 Å2
Refinement stepCycle: final / Resolution: 3.5→41.551 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms133051 0 0 0 133051
Num. residues----16652
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003136654
X-RAY DIFFRACTIONf_angle_d0.616185386
X-RAY DIFFRACTIONf_chiral_restr0.04419769
X-RAY DIFFRACTIONf_plane_restr0.00424197
X-RAY DIFFRACTIONf_dihedral_angle_d12.79281132
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A79615X-RAY DIFFRACTION9.516TORSIONAL
12B79615X-RAY DIFFRACTION9.516TORSIONAL
13C79615X-RAY DIFFRACTION9.516TORSIONAL
14D79615X-RAY DIFFRACTION9.516TORSIONAL
15E79615X-RAY DIFFRACTION9.516TORSIONAL
16F79615X-RAY DIFFRACTION9.516TORSIONAL
17G79615X-RAY DIFFRACTION9.516TORSIONAL
18H79615X-RAY DIFFRACTION9.516TORSIONAL
19I79615X-RAY DIFFRACTION9.516TORSIONAL
110J79615X-RAY DIFFRACTION9.516TORSIONAL
111K79615X-RAY DIFFRACTION9.516TORSIONAL
112L79615X-RAY DIFFRACTION9.516TORSIONAL
113M79615X-RAY DIFFRACTION9.516TORSIONAL
114N79615X-RAY DIFFRACTION9.516TORSIONAL
115O79615X-RAY DIFFRACTION9.516TORSIONAL
116P79615X-RAY DIFFRACTION9.516TORSIONAL
117Q79615X-RAY DIFFRACTION9.516TORSIONAL
118R79615X-RAY DIFFRACTION9.516TORSIONAL
119S79615X-RAY DIFFRACTION9.516TORSIONAL
120T79615X-RAY DIFFRACTION9.516TORSIONAL
121U79615X-RAY DIFFRACTION9.516TORSIONAL
122V79615X-RAY DIFFRACTION9.516TORSIONAL
123W79615X-RAY DIFFRACTION9.516TORSIONAL
124X79615X-RAY DIFFRACTION9.516TORSIONAL
125Y79615X-RAY DIFFRACTION9.516TORSIONAL
126Z79615X-RAY DIFFRACTION9.516TORSIONAL
127a79615X-RAY DIFFRACTION9.516TORSIONAL
128b79615X-RAY DIFFRACTION9.516TORSIONAL
129c79615X-RAY DIFFRACTION9.516TORSIONAL
130d79615X-RAY DIFFRACTION9.516TORSIONAL
131e79615X-RAY DIFFRACTION9.516TORSIONAL
132f79615X-RAY DIFFRACTION9.516TORSIONAL
133g79615X-RAY DIFFRACTION9.516TORSIONAL
134h79615X-RAY DIFFRACTION9.516TORSIONAL
135i79615X-RAY DIFFRACTION9.516TORSIONAL
136j79615X-RAY DIFFRACTION9.516TORSIONAL
137k79615X-RAY DIFFRACTION9.516TORSIONAL
138l79615X-RAY DIFFRACTION9.516TORSIONAL
139m79615X-RAY DIFFRACTION9.516TORSIONAL
140n79615X-RAY DIFFRACTION9.516TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.4948-3.53440.37423450.37166374671978
3.5344-3.5760.39293920.37237969836197
3.576-3.61960.38073440.36068056840097
3.6196-3.66540.37984310.3617965839697
3.6654-3.71360.38753700.35517991836197
3.7136-3.76440.36174560.34357918837497
3.7644-3.81820.36844110.34538023843498
3.8182-3.87510.38094030.34627995839898
3.8751-3.93560.36644670.33197945841298
3.9356-4.00010.3474730.33757998847198
4.0001-4.0690.34924380.33167868830698
4.069-4.14290.3643920.3338080847298
4.1429-4.22260.33264120.31847895830797
4.2226-4.30870.3434510.31328052850397
4.3087-4.40220.32284530.31758009846298
4.4022-4.50450.33413940.30657931832597
4.5045-4.6170.36284000.31258021842197
4.617-4.74170.32023740.2948019839397
4.7417-4.8810.30684320.28647935836797
4.881-5.03830.32323590.29278028838797
5.0383-5.21810.32323440.30088023836797
5.2181-5.42650.34363620.28868000836297
5.4265-5.67290.3254580.30147856831497
5.6729-5.97120.33713880.2997948833696
5.9712-6.34410.32744310.30637749818096
6.3441-6.8320.33073100.30867890820095
6.832-7.51580.30523900.30528186857699
7.5158-8.5950.31544260.29278129855599
8.595-10.79730.31874270.2897761818895
10.7973-41.55430.32432910.28576461675278
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)
10.2520.0624-0.07090.33870.24650.40790.1640.214-0.1705-0.21930.1467-0.04520.01790.07090.36520.30950.1732-0.1312-0.0241-0.16850.303116.3632-157.4591-51.3185
20.10820.0111-0.08860.1512-0.10480.2945-0.0221-0.0786-0.2210.00910.0565-0.1196-0.06380.09930.06380.3535-0.1932-0.077-0.0984-0.01790.312912.1194-149.0859-19.1055
30.00380.0087-0.00480.0410.02510.024-0.1206-0.2845-0.29330.29760.0739-0.10390.33880.02220.00040.48810.0245-0.04970.24560.00820.461918.1744-164.0408-20.5884
40.0499-0.02920.00170.30170.05460.09970.18640.1091-0.160.01490.0196-0.21570.0125-0.01660.25020.5029-0.0047-0.19220.18370.1180.279619.3601-154.736-21.5534
50.24430.060.01910.0250.04570.0927-0.11780.2685-0.0508-0.05780.01510.0219-0.0777-0.00330.01130.4511-0.0823-0.04260.43520.19010.237420.9366-145.2436-24.2149
60.12250.19170.10580.38220.00840.23480.12530.1326-0.1905-0.05230.1754-0.1105-0.03780.13740.3630.23580.1043-0.0716-0.2045-0.18640.203914.7662-154.2712-47.6568
70.0350.0234-0.0370.025-0.02960.0238-0.09080.07270.066-0.0246-0.0289-0.01160.0040.0583-0.19030.44140.0370.05550.4760.39610.3717.0386-118.0192-60.7472
80.0235-0.04770.02860.1646-0.07060.02730.0258-0.01440.1334-0.09970.05680.1126-0.1078-0.13540.04150.10650.0766-0.09430.27890.25420.35430.9322-114.429-49.6544
90.1655-0.0498-0.00340.1976-0.0021-0.0033-0.03530.29840.0907-0.10830.10610.1276-0.0258-0.01750.12430.45970.0748-0.22680.13530.18710.34396.4076-125.3196-39.4618
10-0.00290.0034-0.0070.02950.01960.01660.00460.06120.0226-0.08510.0211-0.0452-0.04170.06120.08670.29230.05920.00580.05810.17570.372.9171-134.3889-38.9806
110.07160.0234-0.03610.119-0.02890.10030.00450.01070.03420.036-0.05870.00720.0715-0.0108-0.11020.37420.014-0.08480.19810.20990.271711.8644-132.4728-32.9956
120.1169-0.0680.06640.2318-0.00850.0479-0.01380.09140.2795-0.2351-0.05830.2135-0.0332-0.10070.08050.03310.322-0.16410.33820.50710.26069.954-116.0364-52.8048
130.05830.0365-0.00610.0407-0.00920.07690.1466-0.0375-0.2198-0.0994-0.1487-0.1440.1968-0.0796-0.01760.39660.0285-0.2190.09550.18230.525644.7457-161.3814-19.0206
140.29850.0417-0.07540.279-0.01490.13470.3345-0.5113-0.53680.3934-0.2485-0.26070.1490.20480.28420.15460.1038-0.2459-0.3970.4592-0.011639.3869-149.0774-12.9551
150.0020.00050.0060.03580.01570.02210.0392-0.03070.12750.07020.0774-0.18510.0242-0.10190.12420.3527-0.2751-0.05230.13190.14560.307157.6262-122.7438-8.2464
160.09910.04080.22230.38960.01420.508-0.00120.0096-0.04120.1244-0.11380.033-0.0063-0.3264-0.49630.28260.00940.0190.32270.20140.163138.6432-121.1174-8.6025
170.0322-0.0842-0.00070.2699-0.13250.5064-0.0029-0.08030.23690.1299-0.03440.1841-0.2291-0.13650.04530.3545-0.1974-0.01550.2813-0.18080.596340.0395-101.9746-6.582
180.64220.25160.10630.6080.04190.3160.1637-0.39160.46490.1661-0.40450.02120.1409-0.2333-0.62040.2805-0.21970.0069-0.36330.19920.260244.9573-119.8504-10.4987
190.0804-0.0764-0.01740.10060.03470.0292-0.0886-0.07870.2146-0.1903-0.0817-0.26840.12380.0186-0.27430.4262-0.04420.013-0.02140.25080.736535.8271-96.105-31.405
200.14210.0651-0.0650.30030.06940.04530.1107-0.03490.79710.2907-0.32030.32190.2644-0.4972-0.72550.00120.3864-0.0934-0.44290.45510.546623.1708-104.6205-28.7075
210.20190.05420.0352-0.00160.02280.01490.05170.13170.0178-0.0206-0.05950.07750.0060.04540.03670.245-0.16030.35930.5435-0.35420.5965-53.1768-51.657525.9778
220.00850.0070.0217-0.0152-0.00420.01450.0138-0.02230.1318-0.032-0.0407-0.1666-0.03730.08-0.0120.5639-0.21540.49781.335-0.09290.8696-32.2459-31.69519.0467
230.33140.15240.09290.0556-0.00630.1222-0.26730.41550.0341-0.0318-0.14590.1137-0.09130.2995-0.16560.1907-0.18790.55311.1536-0.05590.6304-42.8511-30.10029.1228
240.02670.04080.0221-0.00880.00560.0224-0.08880.22690.129-0.017-0.07120.0339-0.05520.1709-0.13760.41510.0120.45020.7226-0.22740.6613-35.9071-28.271518.7021
250.0134-0.05370.04430.0785-0.0420.06520.07860.3197-0.0111-0.0221-0.0746-0.00130.20990.2314-00.527-0.01540.34360.6417-0.62260.6771-48.1872-50.133725.0749
260.03420.02550.01390.041-0.0310.0320.13920.06440.0147-0.0032-0.2574-0.07840.11730.1778-01.03580.00370.11181.2175-0.23730.7615-19.4923-51.892650.5352
270.0470.02150.01460.01790.01550.0180.0969-0.04140.19440.1291-0.0629-0.02610.13630.020500.9999-0.3060.21311.4006-0.43391.042-20.5225-55.076355.7691
280.02640.0245-0.01180.0202-0.01250.00660.0210.0020.05020.0401-0.05220.0080.08380.0171-01.1612-0.15340.26371.67-0.20011.2583-11.4052-38.780913.6443
290.02830.00080.00160.01750.00310.01580.1609-0.02140.09030.0929-0.035-0.0982-0.06110.104701.0370.04850.37541.3125-0.32881.037-22.6086-50.440729.3364
300.00110.0014-0.00190.0001-00.00340.0075-0.01110.046-0.00690.0145-0.0180.00970.022800.9367-0.0130.25551.3471-0.07380.8448-21.8513-53.35630.2765
310.03120.0060.018-0.0056-0.0010.0290.0661-0.07080.17770.0622-0.33510.07540.03060.0193-0.00010.9326-0.10040.19511.2711-0.280.769-23.8192-47.938324.5986
320.01720.008-0.00580.0082-0.03160.0230.22890.04080.2360.2124-0.20490.0233-0.10630.10400.8429-0.19060.20891.3579-0.43180.9633-24.5145-42.88135.3787
330.04990.05160.02860.06360.05920.09080.03660.19240.0329-0.0961-0.32330.02570.09940.0833-0.00070.919-0.36460.34111.3213-0.01651.0071-4.0584-41.397541.5163
34-0.00060-0.00220.0137-0.00690.0015-0.0520.0067-0.01460.0265-0.0587-0.04670.05610.1077-01.07920.06050.0320.9578-0.31450.9077-27.3952-65.842453.3046
350.00930.0084-0.00120.00750.00190.00310.0597-0.0022-0.00150.05860.0477-0.0148-0.08740.009901.1262-0.19780.09911.3664-0.27180.9762-23.1086-42.463364.8974
360.0055-0.012-0.0219-0.02070.0040.0044-0.07350.0967-0.0039-0.07360.0622-0.0437-0.10460.0298-00.7249-0.12210.46551.28420.11280.947-55.5857-10.897815.0972
370.0033-0.004-0.0041-0.00350.0015-0.0053-0.0103-0.05030.0220.0619-0.01020.2219-0.0684-0.08600.8279-0.22550.55031.10270.21811.041-69.0903-9.605124.9789
380.08860.06390.04530.0180.03990.0159-0.0560.07350.07950.0288-0.05920.1804-0.10850.0044-0.22980.7606-0.57960.49541.2030.36450.7997-34.7119-3.798813.8455
39-0.00570.008-0.0145-0.0141-0.01360.029-0.07780.15960.09910.1261-0.0531-0.0685-0.04690.2552-0.01720.6731-0.61760.07731.21550.05940.5879-27.9599-7.602720.5891
400.11610.02760.13060.05150.0230.12740.00720.54390.0960.1050.05950.0653-0.20490.26610.02420.5747-0.26210.32330.68640.17950.7282-57.4256-12.811417.9601
41-0.0061-0.003-0.011-0.0122-0.0037-0.0024-0.00910.10570.05170.0383-0.109-0.04570.05830.1219-01.5506-0.1063-0.17681.19870.21351.1847-32.71510.112841.4761
42-0.00140.0018-0.0042-0.00130.0054-0.0002-0.04960.00740.00160.00120.02350.0281-0.0731-0.0063-00.9863-0.32-0.00491.15230.06331.0498-30.022815.160936.9452
430.04760.0496-0.01240.026-0.04150.05730.00860.11190.12670.1237-0.051-0.1721-0.09630.2353-0.07470.927-0.75040.45180.99380.16631.2599-15.34061.124434.4915
440.0032-0.008-0.0116-0.00610.00350.0053-0.17690.0997-0.0724-0.0351-0.0896-0.24960.04830.0703-0.00150.871-0.62820.2921.7288-0.01471.2771-10.9866-9.604234.8614
450.00040.0026-0.0013-0.0022-0.00040.0004-0.0273-0.01670.07110.049-0.07950.0385-0.0621-0.0068-01.7713-0.3990.09211.69910.09251.5281-33.21122.954945.402
460.0065-0.00290.0080.0075-0.01150.00440.00510.0390.21980.266-0.0535-0.1979-0.12690.0786-0.06411.382-0.79890.25661.07870.09291.1397-33.81110.764537.5483
470.01710.0091-0.01360.02760.05320.0650.058-0.0057-0.01830.2253-0.01950.01680.0513-0.03980.00851.4608-0.89190.36871.2328-0.06211.0885-6.2783-13.753359.7491
480.2661-0.09280.06430.4735-0.11950.07160.19340.50730.1970.3372-0.2482-0.2093-0.22080.46960.08790.9354-0.78670.40981.9905-0.19491.0785-7.2403-22.745847.9795
490.0016-0.0010.00880.02670.05240.03040.0854-0.1304-0.17730.13110.0322-0.01520.19820.01950.00150.38040.0195-0.12170.3014-0.13790.3659-44.169-160.534121.7805
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1380.08460.0537-0.07720.0688-0.10530.1112-0.18960.1204-0.1874-0.0771-0.2604-0.23280.2220.3804-0.48870.41240.33230.01771.0430.80570.5974-27.3757-103.7814-43.5474
1390.18160.09770.01280.2224-0.09890.2294-0.2370.1459-0.0816-0.2510.03770.060.05110.1655-0.12730.5190.2601-0.07020.64430.26430.2235-26.4984-97.1144-68.7523
140-0.00030.00610.00590.00910.00790.0062-0.11130.0355-0.1114-0.0963-0.05660.00940.0466-0.0118-0.00011.16920.08660.45031.06730.01240.6642-30.8396-108.9656-65.6291
1410.0898-0.0058-0.05240.01610.04660.1439-0.39640.1289-0.1168-0.1828-0.0959-0.13120.32130.0145-0.41880.72450.00420.11090.9790.24450.1692-31.6908-101.273-61.6979
1420.33590.1514-0.28230.1658-0.28380.5886-0.43680.1593-0.1359-0.14280.00050.03650.07980.1251-0.57770.45980.01390.00890.74760.45960.2986-33.3682-96.977-62.3555
1430.4713-0.0698-0.25810.04630.06960.4066-0.34770.0864-0.0978-0.0462-0.4462-0.44950.17310.7643-1.69140.47660.15490.02151.02060.90430.2174-25.3981-102.8861-40.7959
1440.02420.00440.01490.00290.00680.0080.01150.08-0.04360.18790.07260.04040.00680.08630.09771.37640.1662-0.21191.27610.81830.8826-65.7417-69.734-80.6223
1450.0411-0.06290.0890.1268-0.10320.1882-0.0306-0.09280.031-0.1549-0.1020.0914-0.1071-0.1944-0.18951.4370.696-0.23851.50680.96160.8839-56.2595-67.0711-77.9756
1460.1605-0.00480.17810.0917-0.09030.1232-0.1056-0.00250.303-0.1471-0.41490.2235-0.1069-0.0685-1.02811.45190.7419-0.09951.86311.46680.6527-55.9378-65.3781-77.4159
1470.1171-0.1250.05060.3048-0.1140.1481-0.1037-0.09470.40590.0361-0.11570.3183-0.19520.0061-0.61341.26480.51180.06631.19241.08731.0909-39.7408-48.0099-60.3299
1480.0390.01610.02930.0064-0.00430.03960.0895-0.00480.07080.0570.15810.02220.08370.0330.44571.69530.25020.03761.06710.86820.9915-25.2582-50.2188-56.6815
1490.0812-0.12420.12750.0773-0.13860.243-0.1153-0.08310.29540.011-0.0978-0.0502-0.2843-0.0677-0.53231.49060.45120.30521.35241.10450.9719-39.2054-51.6454-58.3589
1500.06740.05690.01180.11080.00580.0360.1777-0.09970.18070.1014-0.00490.0253-0.0642-0.10840.03141.8115-0.90660.28381.23450.01260.5587-18.3337-65.9086-28.4377
1510.16430.191-0.12540.1647-0.18150.17990.3727-0.24360.04520.4858-0.4544-0.1278-0.05320.44890.06280.8024-0.47260.11881.78930.75710.1927-14.2404-82.3358-53.6282
1520.2098-0.1168-0.07940.0980.04690.06490.1847-0.03330.38460.06810.0129-0.1873-0.23090.01210.10751.9629-1.1010.13281.48850.09440.711-18.4681-65.0715-33.7701
1530.04640.0326-0.05590.4494-0.26040.2152-0.1455-0.00940.0058-0.1447-0.20330.40570.2308-0.3054-0.55910.4621-0.36430.16111.1199-0.50220.614425.3427-104.585241.8457
1540.0421-0.02940.02390.1670.02480.1117-0.133-0.0012-0.12250.2807-0.0614-0.08440.2814-0.1696-0.17410.7456-0.42890.15481.2988-0.34810.693723.212-101.62572.8416
1550.06530.08060.05860.21510.11990.2613-0.0396-0.08210.04050.2666-0.16720.22630.0925-0.1617-0.52850.5741-0.36580.10121.4013-0.6980.422923.8634-97.354365.5845
1560.27480.15010.09220.1368-0.13030.6513-0.180.06990.0648-0.0836-0.39020.31410.1632-0.2272-0.53730.618-0.23750.12851.0563-0.320.46830.8312-107.127837.6791
1570.00980.00740.03460.0992-0.00570.2018-0.13030.14090.0694-0.15470.0451-0.0484-0.01490.2334-0.04971.0214-0.1004-0.02091.1082-0.54360.72815.415-64.201440.3709
1580.178-0.10530.08310.1354-0.02010.0384-0.0023-0.03040.0346-0.3084-0.10960.3577-0.1439-0.05870.04191.0266-0.16580.11961.1518-0.40760.754516.2435-70.188446.743
1590.05340.01750.06370.150.15690.1367-0.16350.0929-0.0725-0.1777-0.02250.1941-0.0151-0.2341-0.16220.4842-0.1483-0.0091.5677-0.64710.574114.8924-80.051852.3684
1600.14980.07960.05120.1702-0.04660.0453-0.0231-0.02620.0238-0.2528-0.08520.1024-0.0046-0.0095-00.9149-0.09040.0081.263-0.46180.985618.3721-62.144139.0819
1610.0623-0.01350.06520.04620.00310.06750.17730.1176-0.02760.2461-0.0351-0.00960.1640.12400.7869-0.18090.00081.4062-0.46970.915653.7195-108.732373.2585
1620.0867-0.0040.11230.13550.00290.11980.07270.0403-0.03520.2165-0.1951-0.0650.07020.0357-0.52860.551-0.2561-0.08421.4923-0.49520.691646.8861-91.287284.6736
1630.17120.1215-0.08510.16660.00030.21570.1444-0.0716-0.09590.1446-0.1264-0.0161-0.0288-0.17450.16750.5562-0.159-0.03641.3755-0.53560.794847.1292-90.728375.8939
1640.0905-0.0309-0.0110.3637-0.06920.0680.1150.0232-0.07780.3024-0.0079-0.17620.12450.1944-0.06930.7992-0.25880.05711.5308-0.40770.814551.4622-108.560771.0922
1650.0763-0.06040.00820.0828-0.06490.0409-0.03750.24430.02660.14250.001-0.31110.03610.1806-0.01710.7471-0.1694-0.15661.4764-0.4941.084769.5076-69.616380.5815
1660.0175-0.03370.03030.26890.01060.0421-0.03770.0566-0.02640.2081-0.04520.1335-0.01370.03730.08110.9083-0.3001-0.13680.9152-0.45190.494336.9857-61.897387.1522
1670.15190.02170.16740.09250.05160.15310.03250.0347-0.07550.0747-0.1006-0.15090.14730.1783-0.20740.5821-0.38640.00741.4716-0.56160.606747.1598-66.198682.8156
1680.10050.0179-0.02820.0352-0.01850.0627-0.06510.1304-0.10180.0768-0.1285-0.1670.03120.0766-0.0060.6943-0.1862-0.22251.5283-0.26510.914674.8796-66.651375.9151
1690.2917-0.27840.1930.2781-0.18030.126-0.00070.21530.1047-0.0823-0.1291-0.06240.08450.1665-0.17510.6836-0.5231-0.00840.8475-0.32490.64243.5767-41.958361.1457
1700.2063-0.02510.20960.2841-0.08740.4894-0.08430.3558-0.0599-0.0662-0.04140.0398-0.19410.1381-0.20390.7241-0.2678-0.01630.9358-0.38050.443231.8332-51.672362.7144
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 21 through 111 )A21 - 111
2X-RAY DIFFRACTION2chain 'A' and (resid 112 through 173 )A112 - 173
3X-RAY DIFFRACTION3chain 'A' and (resid 174 through 208 )A174 - 208
4X-RAY DIFFRACTION4chain 'A' and (resid 209 through 277 )A209 - 277
5X-RAY DIFFRACTION5chain 'A' and (resid 278 through 317 )A278 - 317
6X-RAY DIFFRACTION6chain 'A' and (resid 318 through 473 )A318 - 473
7X-RAY DIFFRACTION7chain 'B' and (resid 21 through 47 )B21 - 47
8X-RAY DIFFRACTION8chain 'B' and (resid 48 through 87 )B48 - 87
9X-RAY DIFFRACTION9chain 'B' and (resid 88 through 146 )B88 - 146
10X-RAY DIFFRACTION10chain 'B' and (resid 147 through 277 )B147 - 277
11X-RAY DIFFRACTION11chain 'B' and (resid 278 through 317 )B278 - 317
12X-RAY DIFFRACTION12chain 'B' and (resid 318 through 473 )B318 - 473
13X-RAY DIFFRACTION13chain 'C' and (resid 20 through 87 )C20 - 87
14X-RAY DIFFRACTION14chain 'C' and (resid 88 through 473 )C88 - 473
15X-RAY DIFFRACTION15chain 'D' and (resid 20 through 88 )D20 - 88
16X-RAY DIFFRACTION16chain 'D' and (resid 89 through 160 )D89 - 160
17X-RAY DIFFRACTION17chain 'D' and (resid 161 through 194 )D161 - 194
18X-RAY DIFFRACTION18chain 'D' and (resid 195 through 473 )D195 - 473
19X-RAY DIFFRACTION19chain 'E' and (resid 20 through 87 )E20 - 87
20X-RAY DIFFRACTION20chain 'E' and (resid 88 through 473 )E88 - 473
21X-RAY DIFFRACTION21chain 'F' and (resid 20 through 111 )F20 - 111
22X-RAY DIFFRACTION22chain 'F' and (resid 112 through 173 )F112 - 173
23X-RAY DIFFRACTION23chain 'F' and (resid 174 through 277 )F174 - 277
24X-RAY DIFFRACTION24chain 'F' and (resid 278 through 317 )F278 - 317
25X-RAY DIFFRACTION25chain 'F' and (resid 318 through 473 )F318 - 473
26X-RAY DIFFRACTION26chain 'G' and (resid 20 through 57 )G20 - 57
27X-RAY DIFFRACTION27chain 'G' and (resid 58 through 111 )G58 - 111
28X-RAY DIFFRACTION28chain 'G' and (resid 112 through 146 )G112 - 146
29X-RAY DIFFRACTION29chain 'G' and (resid 147 through 187 )G147 - 187
30X-RAY DIFFRACTION30chain 'G' and (resid 188 through 208 )G188 - 208
31X-RAY DIFFRACTION31chain 'G' and (resid 209 through 277 )G209 - 277
32X-RAY DIFFRACTION32chain 'G' and (resid 278 through 340 )G278 - 340
33X-RAY DIFFRACTION33chain 'G' and (resid 341 through 382 )G341 - 382
34X-RAY DIFFRACTION34chain 'G' and (resid 383 through 450 )G383 - 450
35X-RAY DIFFRACTION35chain 'G' and (resid 451 through 473 )G451 - 473
36X-RAY DIFFRACTION36chain 'H' and (resid 20 through 70 )H20 - 70
37X-RAY DIFFRACTION37chain 'H' and (resid 71 through 111 )H71 - 111
38X-RAY DIFFRACTION38chain 'H' and (resid 112 through 247 )H112 - 247
39X-RAY DIFFRACTION39chain 'H' and (resid 248 through 317 )H248 - 317
40X-RAY DIFFRACTION40chain 'H' and (resid 318 through 473 )H318 - 473
41X-RAY DIFFRACTION41chain 'I' and (resid 20 through 56 )I20 - 56
42X-RAY DIFFRACTION42chain 'I' and (resid 57 through 87 )I57 - 87
43X-RAY DIFFRACTION43chain 'I' and (resid 88 through 232 )I88 - 232
44X-RAY DIFFRACTION44chain 'I' and (resid 233 through 307 )I233 - 307
45X-RAY DIFFRACTION45chain 'I' and (resid 308 through 340 )I308 - 340
46X-RAY DIFFRACTION46chain 'I' and (resid 341 through 473 )I341 - 473
47X-RAY DIFFRACTION47chain 'J' and (resid 20 through 87 )J20 - 87
48X-RAY DIFFRACTION48chain 'J' and (resid 88 through 473 )J88 - 473
49X-RAY DIFFRACTION49chain 'K' and (resid 21 through 70 )K21 - 70
50X-RAY DIFFRACTION50chain 'K' and (resid 71 through 111 )K71 - 111
51X-RAY DIFFRACTION51chain 'K' and (resid 112 through 173 )K112 - 173
52X-RAY DIFFRACTION52chain 'K' and (resid 174 through 208 )K174 - 208
53X-RAY DIFFRACTION53chain 'K' and (resid 209 through 277 )K209 - 277
54X-RAY DIFFRACTION54chain 'K' and (resid 278 through 317 )K278 - 317
55X-RAY DIFFRACTION55chain 'K' and (resid 318 through 473 )K318 - 473
56X-RAY DIFFRACTION56chain 'L' and (resid 20 through 47 )L20 - 47
57X-RAY DIFFRACTION57chain 'L' and (resid 48 through 87 )L48 - 87
58X-RAY DIFFRACTION58chain 'L' and (resid 88 through 247 )L88 - 247
59X-RAY DIFFRACTION59chain 'L' and (resid 248 through 363 )L248 - 363
60X-RAY DIFFRACTION60chain 'L' and (resid 364 through 473 )L364 - 473
61X-RAY DIFFRACTION61chain 'M' and (resid 20 through 57 )M20 - 57
62X-RAY DIFFRACTION62chain 'M' and (resid 58 through 88 )M58 - 88
63X-RAY DIFFRACTION63chain 'M' and (resid 89 through 146 )M89 - 146
64X-RAY DIFFRACTION64chain 'M' and (resid 147 through 473 )M147 - 473
65X-RAY DIFFRACTION65chain 'N' and (resid 20 through 88 )N20 - 88
66X-RAY DIFFRACTION66chain 'N' and (resid 89 through 208 )N89 - 208
67X-RAY DIFFRACTION67chain 'N' and (resid 209 through 473 )N209 - 473
68X-RAY DIFFRACTION68chain 'O' and (resid 20 through 87 )O20 - 87
69X-RAY DIFFRACTION69chain 'O' and (resid 88 through 247 )O88 - 247
70X-RAY DIFFRACTION70chain 'O' and (resid 248 through 473 )O248 - 473
71X-RAY DIFFRACTION71chain 'P' and (resid 21 through 111 )P21 - 111
72X-RAY DIFFRACTION72chain 'P' and (resid 112 through 297 )P112 - 297
73X-RAY DIFFRACTION73chain 'P' and (resid 298 through 317 )P298 - 317
74X-RAY DIFFRACTION74chain 'P' and (resid 318 through 473 )P318 - 473
75X-RAY DIFFRACTION75chain 'Q' and (resid 20 through 111 )Q20 - 111
76X-RAY DIFFRACTION76chain 'Q' and (resid 112 through 194 )Q112 - 194
77X-RAY DIFFRACTION77chain 'Q' and (resid 195 through 363 )Q195 - 363
78X-RAY DIFFRACTION78chain 'Q' and (resid 364 through 473 )Q364 - 473
79X-RAY DIFFRACTION79chain 'R' and (resid 20 through 111 )R20 - 111
80X-RAY DIFFRACTION80chain 'R' and (resid 112 through 194 )R112 - 194
81X-RAY DIFFRACTION81chain 'R' and (resid 195 through 473 )R195 - 473
82X-RAY DIFFRACTION82chain 'S' and (resid 20 through 87 )S20 - 87
83X-RAY DIFFRACTION83chain 'S' and (resid 88 through 240 )S88 - 240
84X-RAY DIFFRACTION84chain 'S' and (resid 241 through 473 )S241 - 473
85X-RAY DIFFRACTION85chain 'T' and (resid 20 through 160 )T20 - 160
86X-RAY DIFFRACTION86chain 'T' and (resid 161 through 247 )T161 - 247
87X-RAY DIFFRACTION87chain 'T' and (resid 248 through 317 )T248 - 317
88X-RAY DIFFRACTION88chain 'T' and (resid 318 through 473 )T318 - 473
89X-RAY DIFFRACTION89chain 'U' and (resid 22 through 111 )U22 - 111
90X-RAY DIFFRACTION90chain 'U' and (resid 112 through 473 )U112 - 473
91X-RAY DIFFRACTION91chain 'V' and (resid 20 through 57 )V20 - 57
92X-RAY DIFFRACTION92chain 'V' and (resid 58 through 87 )V58 - 87
93X-RAY DIFFRACTION93chain 'V' and (resid 88 through 127 )V88 - 127
94X-RAY DIFFRACTION94chain 'V' and (resid 128 through 160 )V128 - 160
95X-RAY DIFFRACTION95chain 'V' and (resid 161 through 247 )V161 - 247
96X-RAY DIFFRACTION96chain 'V' and (resid 248 through 317 )V248 - 317
97X-RAY DIFFRACTION97chain 'V' and (resid 318 through 402 )V318 - 402
98X-RAY DIFFRACTION98chain 'V' and (resid 403 through 473 )V403 - 473
99X-RAY DIFFRACTION99chain 'W' and (resid 20 through 111 )W20 - 111
100X-RAY DIFFRACTION100chain 'W' and (resid 112 through 247 )W112 - 247
101X-RAY DIFFRACTION101chain 'W' and (resid 248 through 473 )W248 - 473
102X-RAY DIFFRACTION102chain 'X' and (resid 20 through 100 )X20 - 100
103X-RAY DIFFRACTION103chain 'X' and (resid 101 through 327 )X101 - 327
104X-RAY DIFFRACTION104chain 'X' and (resid 328 through 354 )X328 - 354
105X-RAY DIFFRACTION105chain 'X' and (resid 355 through 473 )X355 - 473
106X-RAY DIFFRACTION106chain 'Y' and (resid 20 through 87 )Y20 - 87
107X-RAY DIFFRACTION107chain 'Y' and (resid 88 through 473 )Y88 - 473
108X-RAY DIFFRACTION108chain 'Z' and (resid 21 through 111 )Z21 - 111
109X-RAY DIFFRACTION109chain 'Z' and (resid 112 through 277 )Z112 - 277
110X-RAY DIFFRACTION110chain 'Z' and (resid 278 through 340 )Z278 - 340
111X-RAY DIFFRACTION111chain 'Z' and (resid 341 through 473 )Z341 - 473
112X-RAY DIFFRACTION112chain 'a' and (resid 20 through 47 )a20 - 47
113X-RAY DIFFRACTION113chain 'a' and (resid 48 through 87 )a48 - 87
114X-RAY DIFFRACTION114chain 'a' and (resid 88 through 117 )a88 - 117
115X-RAY DIFFRACTION115chain 'a' and (resid 118 through 208 )a118 - 208
116X-RAY DIFFRACTION116chain 'a' and (resid 209 through 277 )a209 - 277
117X-RAY DIFFRACTION117chain 'a' and (resid 278 through 327 )a278 - 327
118X-RAY DIFFRACTION118chain 'a' and (resid 328 through 354 )a328 - 354
119X-RAY DIFFRACTION119chain 'a' and (resid 355 through 402 )a355 - 402
120X-RAY DIFFRACTION120chain 'a' and (resid 403 through 473 )a403 - 473
121X-RAY DIFFRACTION121chain 'b' and (resid 20 through 87 )b20 - 87
122X-RAY DIFFRACTION122chain 'b' and (resid 88 through 340 )b88 - 340
123X-RAY DIFFRACTION123chain 'b' and (resid 341 through 363 )b341 - 363
124X-RAY DIFFRACTION124chain 'b' and (resid 364 through 473 )b364 - 473
125X-RAY DIFFRACTION125chain 'c' and (resid 20 through 87 )c20 - 87
126X-RAY DIFFRACTION126chain 'c' and (resid 88 through 111 )c88 - 111
127X-RAY DIFFRACTION127chain 'c' and (resid 112 through 182 )c112 - 182
128X-RAY DIFFRACTION128chain 'c' and (resid 183 through 263 )c183 - 263
129X-RAY DIFFRACTION129chain 'c' and (resid 264 through 340 )c264 - 340
130X-RAY DIFFRACTION130chain 'c' and (resid 341 through 364 )c341 - 364
131X-RAY DIFFRACTION131chain 'c' and (resid 365 through 402 )c365 - 402
132X-RAY DIFFRACTION132chain 'c' and (resid 403 through 473 )c403 - 473
133X-RAY DIFFRACTION133chain 'd' and (resid 20 through 127 )d20 - 127
134X-RAY DIFFRACTION134chain 'd' and (resid 128 through 473 )d128 - 473
135X-RAY DIFFRACTION135chain 'e' and (resid 20 through 208 )e20 - 208
136X-RAY DIFFRACTION136chain 'e' and (resid 209 through 327 )e209 - 327
137X-RAY DIFFRACTION137chain 'e' and (resid 328 through 473 )e328 - 473
138X-RAY DIFFRACTION138chain 'f' and (resid 20 through 131 )f20 - 131
139X-RAY DIFFRACTION139chain 'f' and (resid 132 through 170 )f132 - 170
140X-RAY DIFFRACTION140chain 'f' and (resid 171 through 208 )f171 - 208
141X-RAY DIFFRACTION141chain 'f' and (resid 209 through 263 )f209 - 263
142X-RAY DIFFRACTION142chain 'f' and (resid 264 through 340 )f264 - 340
143X-RAY DIFFRACTION143chain 'f' and (resid 341 through 473 )f341 - 473
144X-RAY DIFFRACTION144chain 'g' and (resid 20 through 70 )g20 - 70
145X-RAY DIFFRACTION145chain 'g' and (resid 71 through 170 )g71 - 170
146X-RAY DIFFRACTION146chain 'g' and (resid 171 through 473 )g171 - 473
147X-RAY DIFFRACTION147chain 'h' and (resid 20 through 151 )h20 - 151
148X-RAY DIFFRACTION148chain 'h' and (resid 152 through 240 )h152 - 240
149X-RAY DIFFRACTION149chain 'h' and (resid 241 through 473 )h241 - 473
150X-RAY DIFFRACTION150chain 'i' and (resid 20 through 111 )i20 - 111
151X-RAY DIFFRACTION151chain 'i' and (resid 112 through 317 )i112 - 317
152X-RAY DIFFRACTION152chain 'i' and (resid 318 through 473 )i318 - 473
153X-RAY DIFFRACTION153chain 'j' and (resid 21 through 117 )j21 - 117
154X-RAY DIFFRACTION154chain 'j' and (resid 118 through 208 )j118 - 208
155X-RAY DIFFRACTION155chain 'j' and (resid 209 through 364 )j209 - 364
156X-RAY DIFFRACTION156chain 'j' and (resid 365 through 473 )j365 - 473
157X-RAY DIFFRACTION157chain 'k' and (resid 20 through 70 )k20 - 70
158X-RAY DIFFRACTION158chain 'k' and (resid 71 through 146 )k71 - 146
159X-RAY DIFFRACTION159chain 'k' and (resid 147 through 340 )k147 - 340
160X-RAY DIFFRACTION160chain 'k' and (resid 341 through 473 )k341 - 473
161X-RAY DIFFRACTION161chain 'l' and (resid 20 through 87 )l20 - 87
162X-RAY DIFFRACTION162chain 'l' and (resid 88 through 277 )l88 - 277
163X-RAY DIFFRACTION163chain 'l' and (resid 278 through 340 )l278 - 340
164X-RAY DIFFRACTION164chain 'l' and (resid 341 through 473 )l341 - 473
165X-RAY DIFFRACTION165chain 'm' and (resid 20 through 111 )m20 - 111
166X-RAY DIFFRACTION166chain 'm' and (resid 112 through 186 )m112 - 186
167X-RAY DIFFRACTION167chain 'm' and (resid 187 through 382 )m187 - 382
168X-RAY DIFFRACTION168chain 'm' and (resid 383 through 473 )m383 - 473
169X-RAY DIFFRACTION169chain 'n' and (resid 20 through 88 )n20 - 88
170X-RAY DIFFRACTION170chain 'n' and (resid 89 through 473 )n89 - 473

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