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- PDB-6s6y: X-ray crystal structure of the formyltransferase/hydrolase comple... -

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Basic information

Entry
Database: PDB / ID: 6s6y
TitleX-ray crystal structure of the formyltransferase/hydrolase complex (FhcABCD) from Methylorubrum extorquens in complex with methylofuran
Components
  • (Formylmethanofuran dehydrogenase subunit ...) x 2
  • Formylmethanofuran--tetrahydromethanopterin formyltransferase
  • Tungsten-containing formylmethanofuran dehydrogenase, subunit B
KeywordsHYDROLASE / Methylotrophy / channeling / polyglutamate / prosthetic group / metallo-hydrolase / formate dehydrogenase / formyl-transferase / methylofuran
Function / homology
Function and homology information


formylmethanofuran-tetrahydromethanopterin N-formyltransferase / formylmethanofuran-tetrahydromethanopterin N-formyltransferase activity / formylmethanofuran dehydrogenase activity / formaldehyde catabolic process / methanogenesis / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds / transition metal ion binding / one-carbon metabolic process / cytoplasm
Similarity search - Function
Alpha-Beta Plaits - #520 / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, C-terminal / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, N-terminal / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, ferredoxin-like superfamily / Formylmethanofuran-tetrahydromethanopterin formyltransferase / FTR, proximal lobe / Formylmethanofuran dehydrogenase, subunit A / Formylmethanofuran dehydrogenase subunit C / Glutamate synthase, alpha subunit, C-terminal ...Alpha-Beta Plaits - #520 / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, C-terminal / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, N-terminal / Formylmethanofuran: tetrahydromethanopterin formyltransferase Ftr, ferredoxin-like superfamily / Formylmethanofuran-tetrahydromethanopterin formyltransferase / FTR, proximal lobe / Formylmethanofuran dehydrogenase, subunit A / Formylmethanofuran dehydrogenase subunit C / Glutamate synthase, alpha subunit, C-terminal / GXGXG motif / Glutamate synthase, alpha subunit, C-terminal domain superfamily / Amidohydrolase 3 / Amidohydrolase family / Metal-dependent hydrolase, composite domain superfamily / Metal-dependent hydrolase / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
D-GLUTAMIC ACID / FORMIC ACID / GLUTAMIC ACID / BETA-L-ASPARTIC ACID / : / Chem-L6K / Chem-MFN / AMINO GROUP / Formylmethanofuran dehydrogenase subunit C / Formylmethanofuran--tetrahydromethanopterin formyltransferase ...D-GLUTAMIC ACID / FORMIC ACID / GLUTAMIC ACID / BETA-L-ASPARTIC ACID / : / Chem-L6K / Chem-MFN / AMINO GROUP / Formylmethanofuran dehydrogenase subunit C / Formylmethanofuran--tetrahydromethanopterin formyltransferase / Formylmethanofuran dehydrogenase subunit A / Tungsten-containing formylmethanofuran dehydrogenase, subunit B
Similarity search - Component
Biological speciesMethylobacterium extorquens (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsWagner, T. / Hemmann, J.L. / Shima, S. / Vorholt, J.
Funding support Germany, Switzerland, 2items
OrganizationGrant numberCountry
Max Planck Society Germany
Swiss National Science Foundation31003A-173094 Switzerland
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2019
Title: Methylofuran is a prosthetic group of the formyltransferase/hydrolase complex and shuttles one-carbon units between two active sites.
Authors: Hemmann, J.L. / Wagner, T. / Shima, S. / Vorholt, J.A.
History
DepositionJul 4, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 4, 2019Provider: repository / Type: Initial release
Revision 1.1Dec 11, 2019Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2Dec 25, 2019Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Jan 24, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ncs_dom_lim
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr1_symmetry / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_conn_type.id / _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

Downloads & links

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Assembly

Deposited unit
A: Formylmethanofuran dehydrogenase subunit A
B: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
C: Formylmethanofuran dehydrogenase subunit C
D: Formylmethanofuran--tetrahydromethanopterin formyltransferase
E: Formylmethanofuran dehydrogenase subunit A
F: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
G: Formylmethanofuran dehydrogenase subunit C
H: Formylmethanofuran--tetrahydromethanopterin formyltransferase
I: Formylmethanofuran dehydrogenase subunit A
J: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
K: Formylmethanofuran dehydrogenase subunit C
L: Formylmethanofuran--tetrahydromethanopterin formyltransferase
M: Formylmethanofuran dehydrogenase subunit A
N: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
O: Formylmethanofuran dehydrogenase subunit C
P: Formylmethanofuran--tetrahydromethanopterin formyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)628,80074
Polymers623,08916
Non-polymers5,71258
Water00
1
A: Formylmethanofuran dehydrogenase subunit A
B: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
C: Formylmethanofuran dehydrogenase subunit C
D: Formylmethanofuran--tetrahydromethanopterin formyltransferase
E: Formylmethanofuran dehydrogenase subunit A
F: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
G: Formylmethanofuran dehydrogenase subunit C
H: Formylmethanofuran--tetrahydromethanopterin formyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)314,12134
Polymers311,5448
Non-polymers2,57626
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
I: Formylmethanofuran dehydrogenase subunit A
J: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
K: Formylmethanofuran dehydrogenase subunit C
L: Formylmethanofuran--tetrahydromethanopterin formyltransferase
M: Formylmethanofuran dehydrogenase subunit A
N: Tungsten-containing formylmethanofuran dehydrogenase, subunit B
O: Formylmethanofuran dehydrogenase subunit C
P: Formylmethanofuran--tetrahydromethanopterin formyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)314,68040
Polymers311,5448
Non-polymers3,13532
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)84.974, 130.322, 172.689
Angle α, β, γ (deg.)84.970, 75.910, 82.090
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 1 through 269 or resid 275...
21(chain E and (resid 1 through 325 or resid 327 through 544 or resid 546 through 547))
31(chain I and (resid 1 through 267 or (resid 268...
41(chain M and (resid 1 through 269 or resid 275...
12(chain B and (resid 2 through 129 or (resid 130...
22(chain F and (resid 2 through 119 or (resid 120...
32(chain J and (resid 2 through 119 or (resid 120...
42(chain N and (resid 2 through 119 or (resid 120...
13(chain C and (resid 2 through 26 or resid 28 through 266))
23(chain G and (resid 2 through 26 or resid 28 through 266))
33(chain K and (resid 2 through 26 or resid 28 through 266))
43(chain O and (resid 2 through 26 or resid 28 through 266))
14(chain D and (resid 4 through 138 or resid 140 through 309))
24(chain H and (resid 4 through 138 or resid 140 through 309))
34(chain L and (resid 4 through 138 or resid 140 through 309))
44(chain P and (resid 4 through 138 or resid 140 through 309))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111METMETPROPRO(chain A and (resid 1 through 269 or resid 275...AA1 - 2691 - 269
121GLYGLYPROPRO(chain A and (resid 1 through 269 or resid 275...AA275 - 325275 - 325
131LYSLYSLYSLYS(chain A and (resid 1 through 269 or resid 275...AA327327
211METMETPROPRO(chain E and (resid 1 through 325 or resid 327 through 544 or resid 546 through 547))EE1 - 3251 - 325
221LYSLYSVALVAL(chain E and (resid 1 through 325 or resid 327 through 544 or resid 546 through 547))EE327 - 544327 - 544
231CYSCYSARGARG(chain E and (resid 1 through 325 or resid 327 through 544 or resid 546 through 547))EE546 - 547546 - 547
311METMETVALVAL(chain I and (resid 1 through 267 or (resid 268...II1 - 2671 - 267
321ASPASPASPASP(chain I and (resid 1 through 267 or (resid 268...II268268
331METMETALAALA(chain I and (resid 1 through 267 or (resid 268...II1 - 5481 - 548
341METMETALAALA(chain I and (resid 1 through 267 or (resid 268...II1 - 5481 - 548
351METMETALAALA(chain I and (resid 1 through 267 or (resid 268...II1 - 5481 - 548
361METMETALAALA(chain I and (resid 1 through 267 or (resid 268...II1 - 5481 - 548
411METMETPROPRO(chain M and (resid 1 through 269 or resid 275...MM1 - 2691 - 269
421GLYGLYPROPRO(chain M and (resid 1 through 269 or resid 275...MM275 - 325275 - 325
431LYSLYSVALVAL(chain M and (resid 1 through 269 or resid 275...MM327 - 544327 - 544
441CYSCYSARGARG(chain M and (resid 1 through 269 or resid 275...MM546 - 547546 - 547
112ALAALAPROPRO(chain B and (resid 2 through 129 or (resid 130...BB2 - 1291 - 128
122GLNGLNASNASN(chain B and (resid 2 through 129 or (resid 130...BB130 - 131129 - 130
132ALAALASERSER(chain B and (resid 2 through 129 or (resid 130...BB2 - 3611 - 360
142ALAALASERSER(chain B and (resid 2 through 129 or (resid 130...BB2 - 3611 - 360
152ALAALASERSER(chain B and (resid 2 through 129 or (resid 130...BB2 - 3611 - 360
162ALAALASERSER(chain B and (resid 2 through 129 or (resid 130...BB2 - 3611 - 360
212ALAALAALAALA(chain F and (resid 2 through 119 or (resid 120...FF2 - 1191 - 118
222GLUGLUGLUGLU(chain F and (resid 2 through 119 or (resid 120...FF120119
232ALAALASERSER(chain F and (resid 2 through 119 or (resid 120...FF2 - 3611 - 360
242ALAALASERSER(chain F and (resid 2 through 119 or (resid 120...FF2 - 3611 - 360
252ALAALASERSER(chain F and (resid 2 through 119 or (resid 120...FF2 - 3611 - 360
262ALAALASERSER(chain F and (resid 2 through 119 or (resid 120...FF2 - 3611 - 360
312ALAALAALAALA(chain J and (resid 2 through 119 or (resid 120...JJ2 - 1191 - 118
322GLUGLUGLUGLU(chain J and (resid 2 through 119 or (resid 120...JJ120119
332ALAALASERSER(chain J and (resid 2 through 119 or (resid 120...JJ2 - 3611 - 360
342ALAALASERSER(chain J and (resid 2 through 119 or (resid 120...JJ2 - 3611 - 360
352ALAALASERSER(chain J and (resid 2 through 119 or (resid 120...JJ2 - 3611 - 360
362ALAALASERSER(chain J and (resid 2 through 119 or (resid 120...JJ2 - 3611 - 360
412ALAALAALAALA(chain N and (resid 2 through 119 or (resid 120...NN2 - 1191 - 118
422GLUGLUGLUGLU(chain N and (resid 2 through 119 or (resid 120...NN120119
432ALAALASERSER(chain N and (resid 2 through 119 or (resid 120...NN2 - 3611 - 360
113SERSERGLYGLY(chain C and (resid 2 through 26 or resid 28 through 266))CC2 - 261 - 25
123SERSERHISHIS(chain C and (resid 2 through 26 or resid 28 through 266))CC28 - 26627 - 265
213SERSERGLYGLY(chain G and (resid 2 through 26 or resid 28 through 266))GG2 - 261 - 25
223SERSERHISHIS(chain G and (resid 2 through 26 or resid 28 through 266))GG28 - 26627 - 265
313SERSERGLYGLY(chain K and (resid 2 through 26 or resid 28 through 266))KK2 - 261 - 25
323SERSERHISHIS(chain K and (resid 2 through 26 or resid 28 through 266))KK28 - 26627 - 265
413SERSERGLYGLY(chain O and (resid 2 through 26 or resid 28 through 266))OO2 - 261 - 25
423SERSERHISHIS(chain O and (resid 2 through 26 or resid 28 through 266))OO28 - 26627 - 265
114PHEPHEASPASP(chain D and (resid 4 through 138 or resid 140 through 309))DD4 - 1383 - 137
124GLUGLUPROPRO(chain D and (resid 4 through 138 or resid 140 through 309))DD140 - 309139 - 308
214PHEPHEASPASP(chain H and (resid 4 through 138 or resid 140 through 309))HH4 - 1383 - 137
224GLUGLUPROPRO(chain H and (resid 4 through 138 or resid 140 through 309))HH140 - 309139 - 308
314PHEPHEASPASP(chain L and (resid 4 through 138 or resid 140 through 309))LL4 - 1383 - 137
324GLUGLUPROPRO(chain L and (resid 4 through 138 or resid 140 through 309))LL140 - 309139 - 308
414PHEPHEASPASP(chain P and (resid 4 through 138 or resid 140 through 309))PP4 - 1383 - 137
424GLUGLUPROPRO(chain P and (resid 4 through 138 or resid 140 through 309))PP140 - 309139 - 308

NCS ensembles :
ID
1
2
3
4

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Components

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Formylmethanofuran dehydrogenase subunit ... , 2 types, 8 molecules AEIMCGKO

#1: Protein
Formylmethanofuran dehydrogenase subunit A


Mass: 58562.992 Da / Num. of mol.: 4 / Mutation: wild type / Source method: isolated from a natural source / Details: Lys178 is a carboxy-lysine.
Source: (natural) Methylobacterium extorquens (strain PA1) (bacteria)
Plasmid details: / / References: UniProt: A9W3R9
#3: Protein
Formylmethanofuran dehydrogenase subunit C


Mass: 27896.566 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: a Strep-tag II sequence (HGSAWSHPQFEK) was added in the C-terminal
Source: (gene. exp.) Methylobacterium extorquens (strain PA1) (bacteria)
Tissue: / / Cell line: / / Gene: Mext_1824 / Organ: / / Variant: / / Plasmid details: /
Production host: Methylobacterium extorquens (strain PA1) (bacteria)
References: UniProt: A9W3R7

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Protein , 2 types, 8 molecules BFJNDHLP

#2: Protein
Tungsten-containing formylmethanofuran dehydrogenase, subunit B


Mass: 37032.543 Da / Num. of mol.: 4 / Source method: isolated from a natural source
Source: (natural) Methylobacterium extorquens (strain PA1) (bacteria)
Plasmid details: / / References: UniProt: A9W3S0
#4: Protein
Formylmethanofuran--tetrahydromethanopterin formyltransferase / H4MPT formyltransferase


Mass: 32280.045 Da / Num. of mol.: 4 / Source method: isolated from a natural source
Source: (natural) Methylobacterium extorquens (strain PA1) (bacteria)
Plasmid details: /
References: UniProt: A9W3R8, formylmethanofuran-tetrahydromethanopterin N-formyltransferase

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Non-polymers , 14 types, 58 molecules

#5: Chemical ChemComp-FMT / FORMIC ACID


Mass: 46.025 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: CH2O2
#6: Chemical ChemComp-MFN / N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE


Mass: 776.741 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C35H44N4O16 / Feature type: SUBJECT OF INVESTIGATION
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical
ChemComp-ZN / ZINC ION


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


Mass: 40.078 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Ca
#10: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: K
#11: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#12: Chemical
ChemComp-DGL / D-GLUTAMIC ACID


Type: D-peptide linking / Mass: 147.129 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C5H9NO4
#13: Chemical ChemComp-NH2 / AMINO GROUP


Mass: 16.023 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: NH2
#14: Chemical
ChemComp-GLU / GLUTAMIC ACID


Type: L-peptide linking / Mass: 147.129 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C5H9NO4
#15: Chemical ChemComp-IAS / BETA-L-ASPARTIC ACID / L-aspartic acid


Type: L-beta-peptide, C-gamma linking / Mass: 133.103 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H7NO4
#16: Chemical ChemComp-L6K / (2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid


Mass: 304.341 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H20N2O4
#17: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#18: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na

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Details

Has ligand of interestY

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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: 2.99 Å3/Da / Density % sol: 58.82 % / Description: Transparent square plate
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop / pH: 7.7
Details: The best hit was obtained in a CombiClover Junior Plate by using the sitting drop vapor diffusion method. 2 ul protein was mixed with 1 ul of the crystallization solution containing 0.2 M ...Details: The best hit was obtained in a CombiClover Junior Plate by using the sitting drop vapor diffusion method. 2 ul protein was mixed with 1 ul of the crystallization solution containing 0.2 M CaCl2 and 20% (w/v) PEG 3350. The protein buffer contained 25 mM Tris pH 7.7, 10% (v/v) glycerol, 2 mM DTT, 6 mM KCl and 200 mM NaCl.
Temp details: The temperature was oscillating between 291 - 295

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.00005 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 16, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.00005 Å / Relative weight: 1
ReflectionResolution: 3.1→48.5 Å / Num. obs: 124496 / % possible obs: 96.6 % / Redundancy: 1.8 % / CC1/2: 0.983 / Rmerge(I) obs: 0.149 / Rpim(I) all: 0.147 / Rrim(I) all: 0.209 / Rsym value: 0.149 / Net I/av σ(I): 4.9 / Net I/σ(I): 5.2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allRsym value% possible all
3.1-3.271.81.2860.6182850.3081.2751.8111.28696.9
3.27-3.471.80.7791170360.7721.0970.77995.8
3.47-3.711.80.4671.6161060.4640.6590.46796
3.71-41.90.2842.6149840.2810.3990.28496.4
4-4.381.80.1674.3138740.1660.2360.16796.6
4.38-4.91.70.1036.9125990.1020.1450.10397.4
4.9-5.661.90.1096.7112230.1080.1530.10997.7
5.66-6.931.80.0878.593730.0860.1230.08797.2
6.93-9.81.80.03619.471470.0350.050.03696.1
9.8-48.5021.80.02128.838690.0210.030.02194.7

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Processing

Software
NameVersionClassification
PHENIX1.14_3260refinement
SCALA3.3.22data scaling
PDB_EXTRACT3.25data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5T5I

5t5i


Resolution: 3.1→24.949 Å / SU ML: 0.55 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 31.26
RfactorNum. reflection% reflection
Rfree0.2513 5953 4.81 %
Rwork0.2212 --
obs0.2227 123826 96.22 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 325.8 Å2 / Biso mean: 108.4772 Å2 / Biso min: 20.11 Å2
Refinement stepCycle: final / Resolution: 3.1→24.949 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms43018 0 270 0 43288
Biso mean--75.13 --
Num. residues----5894
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A6572X-RAY DIFFRACTION5.234TORSIONAL
12E6572X-RAY DIFFRACTION5.234TORSIONAL
13I6572X-RAY DIFFRACTION5.234TORSIONAL
14M6572X-RAY DIFFRACTION5.234TORSIONAL
21B4276X-RAY DIFFRACTION5.234TORSIONAL
22F4276X-RAY DIFFRACTION5.234TORSIONAL
23J4276X-RAY DIFFRACTION5.234TORSIONAL
24N4276X-RAY DIFFRACTION5.234TORSIONAL
31C3220X-RAY DIFFRACTION5.234TORSIONAL
32G3220X-RAY DIFFRACTION5.234TORSIONAL
33K3220X-RAY DIFFRACTION5.234TORSIONAL
34O3220X-RAY DIFFRACTION5.234TORSIONAL
41D3700X-RAY DIFFRACTION5.234TORSIONAL
42H3700X-RAY DIFFRACTION5.234TORSIONAL
43L3700X-RAY DIFFRACTION5.234TORSIONAL
44P3700X-RAY DIFFRACTION5.234TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
3.1-3.13520.45241880.4068381492
3.1352-3.1720.39641880.3884382895
3.172-3.21060.37541990.3832386695
3.2106-3.25110.40432000.3695398296
3.2511-3.29380.38221800.3633392696
3.2938-3.33880.3781900.3447391796
3.3388-3.38640.40082070.3395395695
3.3864-3.43690.3472160.3321380195
3.4369-3.49040.35952000.3209382595
3.4904-3.54750.35361840.3077401096
3.5475-3.60850.341590.2974393696
3.6085-3.67390.31012000.2831390896
3.6739-3.74430.28782020.2732393596
3.7443-3.82050.2741850.253398496
3.8205-3.90330.30261920.2456389796
3.9033-3.99370.24511720.2327395897
3.9937-4.09320.23932130.2326394497
4.0932-4.20330.25961890.2166398897
4.2033-4.32640.23711950.1997392796
4.3264-4.46530.21892290.1894393997
4.4653-4.62390.21071800.1751390997
4.6239-4.80780.2051930.1671405298
4.8078-5.02490.21941990.1717402398
5.0249-5.28750.23362170.1923392698
5.2875-5.61520.22462250.1906399098
5.6152-6.0430.24131990.1915395197
6.043-6.64080.2282150.1902396697
6.6408-7.5780.21272290.1765395198
7.578-9.46020.15932080.1397389295
9.4602-24.9490.19392000.1613387295
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)
10.6203-1.74260.78324.0385-1.57441.91380.02630.08470.14080.41480.30450.72-0.4488-0.2205-0.29110.58830.0734-0.01540.51340.12281.1308-22.998661.292-43.8285
21.7068-0.6141.12091.9901-0.10011.8553-0.09280.00880.04970.35830.0546-0.1503-0.29380.15270.02640.5483-0.0334-0.07870.3621-0.10030.72723.32354.8207-32.938
33.0347-0.1510.19571.6104-0.32842.1939-0.4689-1.27940.59710.96840.01330.5648-0.5702-0.2218-0.24431.15250.21580.29230.7428-0.22770.6363-6.553456.1182-10.8235
41.76260.1525-0.93483.539-0.08832.4839-0.051-0.1430.17460.50360.050.6784-0.3633-0.2067-0.09080.69570.0598-0.05720.426-0.08030.722-14.503551.179-25.0159
50.5694-0.04680.16411.642-0.72430.80920.05870.07950.27310.11880.19180.4012-0.4061-0.139-0.27660.64790.02020.0110.4856-0.05590.942-12.336360.5114-40.8862
61.848-1.582-0.00971.6947-0.23594.5130.09870.4148-0.1109-0.84880.37440.04910.1684-0.0257-0.40140.778-0.2402-0.16630.5818-0.01050.7901-16.617433.3089-61.0398
73.1804-0.39880.62954.3568-1.82091.84570.0973-0.0353-0.2941-0.3041-0.0383-0.26260.2709-0.01420.02970.47580.0821-0.0980.3915-0.13760.87137.913122.1468-35.5783
81.3668-0.2130.69180.2622-0.67632.54440.2530.1777-0.2641-0.22750.1396-0.10830.6349-0.1408-0.25210.66340.0274-0.09740.3461-0.17820.7899-13.174229.2623-56.4954
92.83320.97250.3683.07011.73425.20570.11140.3380.4509-0.4760.2287-0.1043-0.12060.0162-0.00530.75080.00060.00410.31550.02471.0242-7.735541.8619-63.7026
108.13991.0955-1.73811.96920.8966.82360.13840.9059-0.1758-0.28520.45480.41560.2557-1.01750.0140.5643-0.1169-0.45320.80750.16610.9416-40.260421.587-48.9933
113.06091.19780.41762.2637-2.40825.47560.1550.35850.415-0.01570.66251.0187-0.4897-0.9776-0.91410.7999-0.0434-0.38530.81120.18311.1175-43.621929.8676-47.9235
126.2156-0.8798-0.73215.5748-1.84614.8294-0.57460.72690.967-0.06740.38780.2963-0.0811-0.59650.68890.6103-0.1551-0.38561.07880.29031.4204-48.274620.4661-45.0601
132.79920.3587-1.36593.7730.51887.2108-0.0419-0.4711-0.5072-0.22140.09880.17420.008-0.57530.14950.536-0.0382-0.20040.67610.11860.8736-37.951918.7758-41.4198
142.88592.08540.56692.80410.30762.1005-0.21260.2967-0.03090.20590.0888-0.13520.0154-0.17250.11040.4008-0.0219-0.16540.5725-0.02120.8515-29.654916.4518-38.0338
156.77051.15280.90211.1468-0.53771.8933-0.07490.08370.09990.24120.1259-0.42140.0613-0.00520.11990.50530.0056-0.09980.44410.01530.7675-20.020211.7937-31.5447
161.29750.18810.79391.00141.57044.77230.38740.0071-0.260.7545-0.2951-0.89261.2612-0.8022-0.09530.57450.0639-0.19490.45250.12850.9468-18.38113.3876-21.7867
173.8144-0.66880.94923.14752.95033.67480.208-0.1392-0.58340.7764-0.2316-0.2290.3961-0.0317-0.2050.8104-0.1349-0.28070.59990.14480.7753-15.99122.6173-23.1098
182.5344-0.4805-2.09122.50980.66344.36430.38810.16770.52280.6182-0.15070.12030.1491-1.5022-0.25780.6792-0.2616-0.16271.41080.02420.7565-45.403412.885920.0101
191.5652-0.1922-2.16942.3035-0.53083.8189-0.06410.0114-0.0666-0.0964-0.07980.36430.0371-0.37820.06810.6733-0.177-0.25270.82280.09850.79-26.063810.98343.415
207.3133-0.5672-0.52773.71381.49058.0826-0.25110.02830.4209-0.2519-0.1504-0.196-0.3714-1.39460.08430.55620.157-0.12840.81180.01970.722-24.436113.0367-13.3508
211.28870.3462-1.98010.2127-0.10184.5325-0.0502-0.02260.0254-0.0493-0.02790.34920.998-0.68010.16440.7349-0.2475-0.08180.9201-0.10580.8045-34.26957.735615.1193
223.90751.0446-3.02394.2552-1.69545.85480.46830.4471.11190.278-0.6591-0.0649-1.6968-0.1120.23181.129-0.2625-0.18231.13280.03171.2737-33.102421.137534.966
231.8371-1.2278-0.68911.1534-0.74286.33180.3195-0.3396-0.52420.2174-0.57420.50680.1182-0.9449-0.00530.8207-0.3727-0.0071.3685-0.03410.9334-45.953410.91724.9556
243.99382.23711.26413.10111.85951.41330.0207-0.05570.1161-0.30960.0509-0.6859-0.49440.5775-0.03671.2986-0.3291-0.16791.31580.12091.2925.316252.669771.6498
252.66861.97310.04861.702-0.85331.93410.5711-0.10790.68660.3682-0.5386-0.2206-1.1661-0.57830.10261.820.2367-0.21811.33520.02441.1822-21.82657.013369.4003
263.338-1.172-0.11991.02090.00822.20680.06070.02720.7791-0.1933-0.1401-0.3049-1.31650.1046-0.00011.8726-0.0685-0.0591.20590.16651.2619-17.999260.156152.3444
272.33460.53870.06451.90630.53971.5028-0.13250.3810.0782-0.31340.193-0.3659-0.69840.22170.06861.5023-0.169-0.05971.27780.09821.0685-4.763950.526754.5755
281.64550.5041-0.46822.04251.09962.9758-0.2391-0.0159-0.4920.5579-0.4220.4832-0.95480.28420.15821.8269-0.2466-0.15741.30890.17891.34145.154653.136872.2767
293.13091.9087-0.07581.3840.22830.48410.021-0.1170.74820.3239-0.16990.5934-0.9882-0.43640.08761.71110.1120.0811.69040.0071.364-24.044657.937581.0441
300.55130.21851.49370.33150.50483.4979-0.1005-0.54970.15210.50460.1362-0.08060.5338-0.3742-0.03241.63560.1645-0.15421.45190.01770.8862-19.872932.563384.2543
310.92870.60050.40830.39350.26820.3031-0.6147-1.24710.71430.13770.2062-0.3294-2.0454-1.28670.95331.80120.5595-0.3171.95550.141.5869-45.143444.963669.6954
325.5175-1.7888-0.87453.6270.88662.7923-0.17740.13510.0820.47670.03090.57940.2394-0.72020.13291.0603-0.0236-0.11231.42620.1060.9991-40.240327.656863.3391
333.6564-0.89851.11910.2508-0.54213.57-0.1946-0.6189-0.07860.23280.25160.1606-0.09060.2888-0.19121.4610.0552-0.28261.27460.15480.9007-17.462228.62885.5774
345.94731.2068-4.67954.4966-0.84753.6842-0.3608-0.69670.58560.0556-0.7975-0.1251-1.3847-0.00130.25371.91130.2889-0.00431.3192-0.10850.9703-26.643943.697587.2028
351.10690.94381.93141.37320.55956.6370.01-1.07220.524-0.2111-0.0981-0.0513-0.09431.0039-0.1961.35540.26890.11081.9716-0.05481.201-10.374741.292295.6823
363.7046-2.3272-0.99453.589-0.08475.72280.1506-1.0999-0.40760.55370.5755-0.30670.52460.5497-0.46661.69980.2707-0.41231.4125-0.00411.11851.83458.68377.1799
372.9275-0.27172.2192.3556-0.94292.77520.7085-1.222-0.121-0.29360.7852-0.39170.35790.1533-0.2531.10350.2055-0.40151.5785-0.04290.99848.832714.407675.9067
385.209-3.06572.46383.5872-1.9791.34410.06120.3097-0.7470.38690.2351-0.9409-0.66081.17670.20121.7560.5401-0.4611.8398-0.27661.27838.21643.838473.0314
392.7314-0.62480.24691.03071.16333.3888-0.6099-0.120.10040.42490.53610.1540.8901-0.08770.00791.3409-0.0571-0.24391.10830.10460.8076-16.86629.135462.5189
402.2635-3.2927-0.22885.62670.56876.41540.24030.63480.1892-0.2404-0.16310.2110.9581-0.86080.13421.4876-0.3912-0.18810.9770.13630.8907-25.69452.698150.1283
412.8630.2122-1.23131.56181.17144.65970.0814-0.0910.40830.11220.4072-0.80320.4010.7811-0.2870.8480.0506-0.2120.68520.18660.94781.38010.39758.9677
420.847-0.2388-1.53423.2787-0.80736.65250.0354-0.395-0.1580.1459-0.1706-0.18520.3490.09890.17721.0036-0.2914-0.24380.89590.07170.9435-18.27811.988923.0297
432.90460.4875-2.72114.3545-0.1186.67150.108-0.10650.21780.6983-0.0471-0.2704-0.66610.4567-0.0470.7851-0.2147-0.16330.84890.17460.6146-13.024712.843722.7139
443.4684-0.9283-1.69011.29620.55125.60860.6507-0.9587-0.37150.6163-0.255-0.3633-0.2289-0.1239-0.30051.0082-0.2778-0.24970.91690.01430.7091-16.964811.955632.0147
452.0121-0.4514-1.55511.79691.18645.99410.5718-0.9462-0.0890.16190.02360.18670.31420.3273-0.23681.2336-0.3429-0.28191.17740.09160.7891-16.93699.885938.8459
461.48451.3813-0.46912.161.2036.58860.3509-0.4483-0.2920.38320.3959-0.57211.1673-0.6726-0.38470.83210.0127-0.37610.75680.21771.0476-8.395-2.14795.5482
473.53760.3214-0.71056.49242.81037.8255-0.3589-0.62290.4794-0.4696-0.2321-0.1135-1.0237-0.0065-0.13750.7805-0.015-0.27890.75390.04930.9256-4.912814.3346-5.6798
481.00460.1264-1.71791.16930.29573.02530.5524-0.09850.22740.16010.1245-0.42550.2650.18190.04930.77070.0138-0.22980.76360.04170.832-3.48111.9963-2.9188
491.62251.4808-0.29233.07542.0515.32620.3517-0.4695-0.10830.5886-0.1508-1.11620.67130.8069-0.03830.70510.0961-0.32140.97270.1161.1362.9236-2.96546.9398
503.13580.84750.40056.84230.00155.63780.1710.32320.6732-0.95270.10321.26211.1598-0.69-0.11641.0633-0.2283-0.29960.66-0.04891.1818-17.2417-63.0125-71.2132
512.36593.24970.61536.1481.1781.7742-0.04150.1422-0.5218-0.88420.2421-0.04870.23670.0448-0.09570.65680.05260.03410.4568-0.15770.6295-3.8471-44.7054-70.4421
523.61710.1157-0.39134.7403-0.4093.0266-0.28720.8949-0.1816-0.24980.47311.36020.234-0.6001-0.16210.4754-0.107-0.11510.59240.11840.9501-11.2667-32.5801-71.4641
532.40830.0981-0.7574.34521.60962.02410.05540.6360.88410.2052-0.04831.4762-0.1745-0.5801-0.01230.575-0.0407-0.16780.70860.21721.4669-21.7828-21.0531-61.4815
541.68710.0607-0.11526.16621.63615.4325-0.0261-0.31251.03260.4694-0.37951.49670.6033-0.4909-0.02330.74470.0370.13570.42760.04271.4889-23.1166-22.4411-52.1197
551.98461.2212-0.06482.84770.30971.65910.4475-0.18560.22490.6677-0.12340.36950.6291-0.4404-0.35370.7381-0.03410.04230.4848-0.14110.9796-16.8417-33.6326-49.2829
561.9806-0.2298-0.07682.33020.50131.10470.0091-0.21440.25080.39360.0180.465-0.03280.03140.07240.53290.0206-0.06490.3721-0.08960.7992-8.7969-35.5237-46.5632
572.05411.20510.88033.1253-0.53372.3243-0.13310.0565-0.08480.1160.17530.18910.1599-0.1191-0.03030.47320.09490.14250.359-0.21830.6585-5.4935-44.4344-53.0004
582.49051.53751.18233.4911-1.95243.2505-0.26810.54050.2772-0.8670.2637-0.09440.54180.23140.12980.71320.0106-0.02120.5595-0.27540.8078-7.4699-51.3864-71.5998
592.22191.60260.2714.48961.01541.773-0.00630.29350.7264-0.6247-0.13421.3821-0.2805-0.50770.37870.8372-0.0623-0.42460.89910.25431.7683-20.2925-23.8405-76.2681
607.70531.91430.79136.3494-0.8384.2987-0.29571.31550.6795-1.24910.31220.49210.341-0.2053-0.05520.9977-0.01990.29941.2142-0.45370.23477.2285-30.0166-104.1172
611.3731-0.5766-0.27032.55121.05790.9967-0.09680.3380.6812-0.32940.05440.5368-0.2306-0.1306-0.02090.5784-0.0483-0.18320.52920.18981.09593.0233-10.0128-70.9038
622.38320.54850.05341.3395-1.01973.58460.1959-0.1646-0.02720.1381-0.04460.3235-0.384-0.0659-0.03720.5792-0.0214-0.09040.41150.0031.28657.1533-5.1442-57.9616
632.12610.0565-1.21441.03580.52133.6318-0.23120.56160.5592-0.47260.2360.2248-0.42620.0993-0.02390.6903-0.2585-0.17420.71530.19230.90019.2128-22.3723-84.5571
644.4365-1.1045-1.0955.1312.04695.0828-0.11421.1703-0.0645-0.56160.33680.73050.1151-0.38140.03190.8663-0.3574-0.39440.90120.19531.0888-4.4143-26.2951-90.2879
654.6848-1.04370.65914.2957-0.93885.7367-0.09850.68050.480.1702-0.0708-0.4010.550.4356-0.00470.73880.00660.04080.6715-0.29620.805233.7446-37.2881-80.4102
660.7761-0.1567-1.06133.35493.15224.5862-0.00960.3874-0.8559-0.7030.3142-0.610.47880.3419-0.2380.8146-0.1988-0.06350.5317-0.12470.848930.1526-45.4719-79.3059
674.104-0.3294-0.52023.84091.74292.16760.72610.8014-1.4953-0.11690.0901-1.90231.72110.8945-0.0810.79860.16480.23470.6946-0.17860.965540.3567-42.6524-77.4671
681.50390.98990.33343.29330.1544.7375-0.2098-0.1428-0.2431-0.54070.4582-0.39920.46430.12680.01950.45530.13470.09950.5397-0.1630.833633.5383-31.0719-70.4592
691.3342-0.8467-0.71872.0853-0.13521.64230.33090.4821-0.1885-0.9211-0.81030.1604-0.00990.4673-0.1923-0.42430.59450.55130.46-0.16160.688729.4931-22.1064-64.5453
700.0267-0.3344-0.29842.67731.26233.36-0.06310.03190.26880.0484-0.0580.4647-0.52660.31620.1540.5163-0.0485-0.06250.5196-0.02410.918229.749-10.0199-57.6443
711.66480.21181.57672.63341.09165.1896-0.61650.1463-0.09220.0216-0.0917-0.4398-0.15460.61780.36560.4320.0059-0.05360.49330.0190.942241.0542-13.4895-50.807
722.0378-1.2772-2.45582.0628-1.15358.66580.0486-0.44850.25220.215-0.4427-0.1768-1.10510.29590.10070.5066-0.0403-0.03440.3624-0.14580.896328.0341-7.4365-52.04
737.33454.03950.89753.08721.61412.11011.561-1.9253-2.94691.21320.09180.04721.6257-0.04491.94570.50530.96610.4120.4246-0.29110.760449.3742-41.3224-13.8774
743.8711-1.3981.09292.6949-1.79346.1152-0.726-0.02160.3509-0.23070.4924-0.21790.51810.05590.33240.51640.2450.07520.4207-0.16470.646938.691-24.1404-25.1326
752.68980.45991.292.5084-1.96263.7992-0.19880.2126-0.0657-0.26850.1282-0.28420.62660.05340.04310.6092-0.0201-0.08720.4295-0.0680.782432.8707-23.7406-37.0663
764.71470.36112.93524.5973-1.49596.5896-0.4577-0.4205-0.55080.24580.867-0.97230.53781.04280.10690.61590.41350.03460.7636-0.06130.770554.3211-31.2704-6.897
772.44460.46050.10012.7899-0.42066.4820.1198-0.5579-0.51450.2006-0.4273-0.14930.83421.43570.37720.82130.4763-0.00760.81010.21650.885547.6463-37.1694-5.4008
786.81620.24021.3152.3995-0.51234.0815-0.2509-0.4041-1.44630.4374-0.0414-0.74111.4312-0.02490.0351.34710.3869-0.04360.76410.19311.182248.6615-47.6648-14.0316
792.1765-0.67710.5991.98310.30232.5630.20910.00160.44610.21350.1256-0.33490.2846-1.93730.10221.1429-0.26080.07521.89790.43491.5246-23.5332-36.759551.4191
802.4074-2.1822-0.95552.1260.90174.1274-0.24740.28540.0901-0.21130.3699-0.159-0.1131-0.0374-0.10391.3495-0.3608-0.05161.23390.19921.18744.72-42.374843.4277
810.2768-0.7244-0.37881.95120.3692.3685-0.059-0.0185-0.77670.6566-0.69590.12991.56540.08280.13982.1976-0.43340.02091.36950.06821.2845.4405-66.606431.7728
822.3541-0.8713-1.12692.86-0.22262.8712-0.38950.6526-0.2036-0.1077-0.23480.40610.3748-1.22120.03021.8064-0.4377-0.37121.44660.15041.2697-2.5342-55.317324.2057
830.7764-1.13480.39181.6564-0.15082.2896-0.1092-0.055-0.6521-0.81660.14620.0307-0.1488-0.7294-0.01711.5947-0.3572-0.18241.60060.29421.358-0.021-47.69121.1827
841.1567-0.7673-0.06670.83330.55251.41710.32280.14950.1688-0.0578-0.43570.64060.8105-0.3022-0.08891.5832-0.42620.00971.33040.0831.18438.2043-41.556124.1406
851.82520.2226-0.010.6326-0.2951.2389-0.09570.1684-0.3795-0.04870.05610.4288-0.0679-0.4166-0.4271.3091-0.332-0.21121.70670.26131.4935-10.6353-38.93429.9953
860.53910.5635-0.20561.8463-1.27521.1612-0.2236-0.1262-0.49040.32580.4790.51110.3251-1.16870.06241.3766-0.1817-0.01061.3840.19021.4016-8.2139-37.261147.4525
872.15380.23820.00740.4081-0.50690.63590.1350.4273-0.32580.3508-0.342-0.25720.8594-0.37510.19761.7127-0.19620.04771.3040.19861.39227.6395-63.415149.9932
880.38291.1564-1.52135.748-4.37648.02730.1708-0.7458-0.02181.54550.568-0.0897-0.03-0.4353-0.31252.14990.24490.12511.42610.28451.137322.2162-36.543375.7329
891.7398-0.0954-2.10272.1206-0.07694.8848-0.0703-0.26720.10680.35160.1528-0.35171.27390.11690.18071.3668-0.097-0.08171.2640.3150.994625.6889-46.069746.9928
901.4591-0.8329-0.71720.69310.42490.3761-0.6701-0.556-0.5440.65880.65110.11341.13320.25020.73922.36050.1346-0.12591.35090.31971.921629.3453-68.732334.3815
912.2456-0.40321.2420.13-0.01281.3303-0.9265-0.86910.051.02020.7955-0.18950.78360.27940.25911.64190.3054-0.06441.59140.46781.166543.5097-54.997431.7344
923.1271-0.0459-0.93695.39911.30052.10610.0848-0.2543-0.55830.80950.19330.90611.1643-0.3236-0.30731.59150.07160.19730.94580.22840.864235.328-51.667227.2102
930.4840.52530.191.370.84265.59870.1104-0.2607-0.07880.5191-0.0656-0.18170.320.19660.03981.4076-0.07870.06211.2770.30591.123725.9566-41.261755.5916
942.6773-0.1212-0.38862.91330.17878.457-0.0701-0.02350.07231.05140.57880.37570.7144-0.6786-0.4881.1972-0.12610.261.24440.22871.126215.2478-46.428763.8006
951.5025-1.41691.20034.8167-2.18516.48830.4287-0.345-0.11481.17510.27470.28130.10020.6068-0.37061.3068-0.2187-0.08111.26260.0090.934627.394-11.042450.2275
963.62420.1967-0.92771.21212.06317.31980.0059-0.6860.4490.3423-0.84030.42830.9023-0.21841.10880.7266-0.20530.08060.9877-0.03021.070918.3796-9.437150.3412
970.27630.76750.44013.12521.94091.21590.3289-0.01790.32650.104-0.131.348-0.83940.30820.10591.828-0.1802-0.0911.07560.03651.17426.3969-2.62347.302
980.2162-0.3372-0.44924.0278-2.44035.7738-0.1811-0.10590.05820.6386-0.0681-0.26290.48750.38260.09250.9665-0.1515-0.13490.82380.11230.990931.0384-14.916939.7171
993.57370.0496-0.10943.74121.13125.397-0.1986-0.74640.39660.3992-0.6626-0.2070.45430.2920.35450.8421-0.1067-0.11550.99050.23920.918135.3063-23.430733.3932
1000.52240.1944-1.20122.65950.73973.27360.20950.189-0.16060.4092-0.08090.14070.53930.9651-0.12380.94450.1447-0.26591.06320.20550.734344.4167-30.353225.5286
1014.21770.2496-1.97130.1571-1.02536.3894-0.2187-0.13571.10150.2612-0.2017-0.38750.16841.28010.17820.65620.1216-0.22350.9530.17340.882747.3986-19.120118.1534
1024.05293.66411.39935.54071.06036.07-0.47680.23970.17110.23680.2825-0.66160.62340.4403-0.05820.99380.3898-0.11460.98830.13671.110944.8506-33.347319.9091
1032.419-0.66190.26363.2125-2.08473.7751-0.10460.06410.324-0.17850.43860.8392-0.33-0.5258-0.32060.5683-0.0538-0.23510.3975-0.13390.810927.06182.4954-18.0453
1043.1576-0.15061.77533.038-2.79356.108-0.0567-0.17660.35710.147-0.4649-0.34230.18840.41970.31190.4190.10510.02770.5132-0.18520.590735.4589-15.8651-6.7772
1052.27520.13771.02964.2592-3.00233.82590.2809-0.5676-0.62080.5849-0.4242-0.15130.22630.5159-0.14810.6556-0.0235-0.07720.69880.10590.636132.4113-21.25052.0684
1063.4483-0.59131.42032.5852-2.3035.93240.206-0.5596-0.27350.8922-0.0266-0.1554-0.27960.0751-0.01750.55060.0532-0.03940.69580.05950.773333.874-19.72787.6761
1071.7560.1595-0.47063.4927-1.52679.47880.1293-0.57910.5642-0.18190.2154-0.2206-0.50430.5826-0.04050.43520.0957-0.06040.5437-0.1490.850737.46530.1309-25.9792
1081.0743-0.5988-0.28822.9934-1.82664.2661-0.1401-0.1478-0.5166-0.02060.15540.5740.5166-0.35790.3460.46220.05140.01780.3957-0.25640.732425.3654-9.5945-24.438
1092.13860.7879-1.89282.4037-0.48731.8616-0.14850.16550.8705-0.09080.34920.798-0.5788-0.45090.46810.24320.12550.04820.3412-0.21230.746226.6865-2.5303-32.2576
1101.78541.0615-0.66172.5606-2.57634.8415-0.2794-0.15930.60920.27040.062-0.2719-0.5459-0.00220.08240.55290.0985-0.18250.4416-0.14451.10728.32566.1874-19.8247
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 104 )A1 - 104
2X-RAY DIFFRACTION2chain 'A' and (resid 105 through 266 )A105 - 266
3X-RAY DIFFRACTION3chain 'A' and (resid 267 through 290 )A267 - 290
4X-RAY DIFFRACTION4chain 'A' and (resid 291 through 406 )A291 - 406
5X-RAY DIFFRACTION5chain 'A' and (resid 407 through 548 )A407 - 548
6X-RAY DIFFRACTION6chain 'B' and (resid 2 through 73 )B2 - 73
7X-RAY DIFFRACTION7chain 'B' and (resid 74 through 206 )B74 - 206
8X-RAY DIFFRACTION8chain 'B' and (resid 207 through 307 )B207 - 307
9X-RAY DIFFRACTION9chain 'B' and (resid 308 through 361 )B308 - 361
10X-RAY DIFFRACTION10chain 'C' and (resid 2 through 20 )C2 - 20
11X-RAY DIFFRACTION11chain 'C' and (resid 21 through 45 )C21 - 45
12X-RAY DIFFRACTION12chain 'C' and (resid 46 through 63 )C46 - 63
13X-RAY DIFFRACTION13chain 'C' and (resid 64 through 84 )C64 - 84
14X-RAY DIFFRACTION14chain 'C' and (resid 85 through 136 )C85 - 136
15X-RAY DIFFRACTION15chain 'C' and (resid 137 through 197 )C137 - 197
16X-RAY DIFFRACTION16chain 'C' and (resid 198 through 234 )C198 - 234
17X-RAY DIFFRACTION17chain 'C' and (resid 235 through 266 )C235 - 266
18X-RAY DIFFRACTION18chain 'D' and (resid 2 through 29 )D2 - 29
19X-RAY DIFFRACTION19chain 'D' and (resid 30 through 127 )D30 - 127
20X-RAY DIFFRACTION20chain 'D' and (resid 128 through 150 )D128 - 150
21X-RAY DIFFRACTION21chain 'D' and (resid 151 through 213 )D151 - 213
22X-RAY DIFFRACTION22chain 'D' and (resid 214 through 235 )D214 - 235
23X-RAY DIFFRACTION23chain 'D' and (resid 236 through 309 )D236 - 309
24X-RAY DIFFRACTION24chain 'E' and (resid 1 through 104 )E1 - 104
25X-RAY DIFFRACTION25chain 'E' and (resid 105 through 191 )E105 - 191
26X-RAY DIFFRACTION26chain 'E' and (resid 192 through 303 )E192 - 303
27X-RAY DIFFRACTION27chain 'E' and (resid 304 through 456 )E304 - 456
28X-RAY DIFFRACTION28chain 'E' and (resid 457 through 505 )E457 - 505
29X-RAY DIFFRACTION29chain 'E' and (resid 506 through 547 )E506 - 547
30X-RAY DIFFRACTION30chain 'F' and (resid 2 through 100 )F2 - 100
31X-RAY DIFFRACTION31chain 'F' and (resid 101 through 121 )F101 - 121
32X-RAY DIFFRACTION32chain 'F' and (resid 122 through 206 )F122 - 206
33X-RAY DIFFRACTION33chain 'F' and (resid 207 through 307 )F207 - 307
34X-RAY DIFFRACTION34chain 'F' and (resid 308 through 325 )F308 - 325
35X-RAY DIFFRACTION35chain 'F' and (resid 326 through 361 )F326 - 361
36X-RAY DIFFRACTION36chain 'G' and (resid 2 through 20 )G2 - 20
37X-RAY DIFFRACTION37chain 'G' and (resid 21 through 45 )G21 - 45
38X-RAY DIFFRACTION38chain 'G' and (resid 46 through 63 )G46 - 63
39X-RAY DIFFRACTION39chain 'G' and (resid 64 through 221 )G64 - 221
40X-RAY DIFFRACTION40chain 'G' and (resid 222 through 266 )G222 - 266
41X-RAY DIFFRACTION41chain 'H' and (resid 2 through 29 )H2 - 29
42X-RAY DIFFRACTION42chain 'H' and (resid 30 through 73 )H30 - 73
43X-RAY DIFFRACTION43chain 'H' and (resid 74 through 98 )H74 - 98
44X-RAY DIFFRACTION44chain 'H' and (resid 99 through 127 )H99 - 127
45X-RAY DIFFRACTION45chain 'H' and (resid 128 through 167 )H128 - 167
46X-RAY DIFFRACTION46chain 'H' and (resid 168 through 213 )H168 - 213
47X-RAY DIFFRACTION47chain 'H' and (resid 214 through 235 )H214 - 235
48X-RAY DIFFRACTION48chain 'H' and (resid 236 through 259 )H236 - 259
49X-RAY DIFFRACTION49chain 'H' and (resid 260 through 309 )H260 - 309
50X-RAY DIFFRACTION50chain 'I' and (resid 1 through 31 )I1 - 31
51X-RAY DIFFRACTION51chain 'I' and (resid 32 through 118 )I32 - 118
52X-RAY DIFFRACTION52chain 'I' and (resid 119 through 143 )I119 - 143
53X-RAY DIFFRACTION53chain 'I' and (resid 144 through 191 )I144 - 191
54X-RAY DIFFRACTION54chain 'I' and (resid 192 through 220 )I192 - 220
55X-RAY DIFFRACTION55chain 'I' and (resid 221 through 266 )I221 - 266
56X-RAY DIFFRACTION56chain 'I' and (resid 267 through 318 )I267 - 318
57X-RAY DIFFRACTION57chain 'I' and (resid 319 through 456 )I319 - 456
58X-RAY DIFFRACTION58chain 'I' and (resid 457 through 505 )I457 - 505
59X-RAY DIFFRACTION59chain 'I' and (resid 506 through 548 )I506 - 548
60X-RAY DIFFRACTION60chain 'J' and (resid 2 through 25 )J2 - 25
61X-RAY DIFFRACTION61chain 'J' and (resid 26 through 157 )J26 - 157
62X-RAY DIFFRACTION62chain 'J' and (resid 158 through 206 )J158 - 206
63X-RAY DIFFRACTION63chain 'J' and (resid 207 through 307 )J207 - 307
64X-RAY DIFFRACTION64chain 'J' and (resid 308 through 361 )J308 - 361
65X-RAY DIFFRACTION65chain 'K' and (resid 2 through 20 )K2 - 20
66X-RAY DIFFRACTION66chain 'K' and (resid 21 through 45 )K21 - 45
67X-RAY DIFFRACTION67chain 'K' and (resid 46 through 63 )K46 - 63
68X-RAY DIFFRACTION68chain 'K' and (resid 64 through 117 )K64 - 117
69X-RAY DIFFRACTION69chain 'K' and (resid 118 through 162 )K118 - 162
70X-RAY DIFFRACTION70chain 'K' and (resid 163 through 221 )K163 - 221
71X-RAY DIFFRACTION71chain 'K' and (resid 222 through 250 )K222 - 250
72X-RAY DIFFRACTION72chain 'K' and (resid 251 through 266 )K251 - 266
73X-RAY DIFFRACTION73chain 'L' and (resid 2 through 29 )L2 - 29
74X-RAY DIFFRACTION74chain 'L' and (resid 30 through 98 )L30 - 98
75X-RAY DIFFRACTION75chain 'L' and (resid 99 through 171 )L99 - 171
76X-RAY DIFFRACTION76chain 'L' and (resid 172 through 197 )L172 - 197
77X-RAY DIFFRACTION77chain 'L' and (resid 198 through 288 )L198 - 288
78X-RAY DIFFRACTION78chain 'L' and (resid 289 through 309 )L289 - 309
79X-RAY DIFFRACTION79chain 'M' and (resid 1 through 48 )M1 - 48
80X-RAY DIFFRACTION80chain 'M' and (resid 49 through 143 )M49 - 143
81X-RAY DIFFRACTION81chain 'M' and (resid 144 through 220 )M144 - 220
82X-RAY DIFFRACTION82chain 'M' and (resid 221 through 266 )M221 - 266
83X-RAY DIFFRACTION83chain 'M' and (resid 267 through 318 )M267 - 318
84X-RAY DIFFRACTION84chain 'M' and (resid 319 through 365 )M319 - 365
85X-RAY DIFFRACTION85chain 'M' and (resid 366 through 456 )M366 - 456
86X-RAY DIFFRACTION86chain 'M' and (resid 457 through 505 )M457 - 505
87X-RAY DIFFRACTION87chain 'M' and (resid 506 through 548 )M506 - 548
88X-RAY DIFFRACTION88chain 'N' and (resid 2 through 25 )N2 - 25
89X-RAY DIFFRACTION89chain 'N' and (resid 26 through 100 )N26 - 100
90X-RAY DIFFRACTION90chain 'N' and (resid 101 through 121 )N101 - 121
91X-RAY DIFFRACTION91chain 'N' and (resid 122 through 157 )N122 - 157
92X-RAY DIFFRACTION92chain 'N' and (resid 158 through 206 )N158 - 206
93X-RAY DIFFRACTION93chain 'N' and (resid 207 through 320 )N207 - 320
94X-RAY DIFFRACTION94chain 'N' and (resid 321 through 361 )N321 - 361
95X-RAY DIFFRACTION95chain 'O' and (resid 2 through 20 )O2 - 20
96X-RAY DIFFRACTION96chain 'O' and (resid 21 through 45 )O21 - 45
97X-RAY DIFFRACTION97chain 'O' and (resid 46 through 63 )O46 - 63
98X-RAY DIFFRACTION98chain 'O' and (resid 64 through 117 )O64 - 117
99X-RAY DIFFRACTION99chain 'O' and (resid 118 through 162 )O118 - 162
100X-RAY DIFFRACTION100chain 'O' and (resid 163 through 221 )O163 - 221
101X-RAY DIFFRACTION101chain 'O' and (resid 222 through 250 )O222 - 250
102X-RAY DIFFRACTION102chain 'O' and (resid 251 through 266 )O251 - 266
103X-RAY DIFFRACTION103chain 'P' and (resid 2 through 29 )P2 - 29
104X-RAY DIFFRACTION104chain 'P' and (resid 30 through 98 )P30 - 98
105X-RAY DIFFRACTION105chain 'P' and (resid 99 through 127 )P99 - 127
106X-RAY DIFFRACTION106chain 'P' and (resid 128 through 171 )P128 - 171
107X-RAY DIFFRACTION107chain 'P' and (resid 172 through 197 )P172 - 197
108X-RAY DIFFRACTION108chain 'P' and (resid 198 through 224 )P198 - 224
109X-RAY DIFFRACTION109chain 'P' and (resid 225 through 259 )P225 - 259
110X-RAY DIFFRACTION110chain 'P' and (resid 260 through 309 )P260 - 309

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