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- PDB-5t61: TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANO... -

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Basic information

Entry
Database: PDB / ID: 5t61
TitleTUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A
Components
  • (Tungsten formylmethanofuran dehydrogenase subunit ...) x 5
  • Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
KeywordsOXIDOREDUCTASE / CO2 fixation / metallohydrolase / formate dehydrogenase / tungstopterin / methanogenesis / green house gas / methanothermobacter wolfeii / iron sulfur cluster / ferredoxin / beta helicoidal / channel / formate / CO2 / methanofuran / formylmethanofuran / nanomachine / binuclear center / tungsten / gate / coupling / enzyme / anaerobic / carboxylysine
Function / homologyHYDROSULFURIC ACID / : / Chem-MFN / Chem-MGD / IRON/SULFUR CLUSTER / :
Function and homology information
Biological speciesMethanothermobacter wolfeii (archaea)
Methanothermobacter sp. CaT2 (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
AuthorsWagner, T. / Ermler, U. / Shima, S.
Funding support Germany, Japan, 2items
OrganizationGrant numberCountry
Max Planck Society Germany
PRESTO Japan
CitationJournal: Science / Year: 2016
Title: The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Authors: Wagner, T. / Ermler, U. / Shima, S.
History
DepositionSep 1, 2016Deposition site: RCSB / Processing site: PDBE
Revision 1.0Oct 19, 2016Provider: repository / Type: Initial release
Revision 1.1Dec 21, 2016Group: Database references
Revision 1.2Feb 20, 2019Group: Advisory / Data collection / Derived calculations
Category: pdbx_data_processing_status / pdbx_seq_map_depositor_info ...pdbx_data_processing_status / pdbx_seq_map_depositor_info / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / struct_conn
Item: _pdbx_seq_map_depositor_info.one_letter_code / _pdbx_seq_map_depositor_info.one_letter_code_mod
Revision 1.3Jan 17, 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
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.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.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_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Tungsten formylmethanofuran dehydrogenase subunit fwdA
B: Tungsten formylmethanofuran dehydrogenase subunit B
C: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
D: Tungsten formylmethanofuran dehydrogenase subunit fwdD
E: Tungsten formylmethanofuran dehydrogenase subunit fwdG
F: Tungsten formylmethanofuran dehydrogenase subunit fwdF
G: Tungsten formylmethanofuran dehydrogenase subunit fwdA
H: Tungsten formylmethanofuran dehydrogenase subunit B
I: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
J: Tungsten formylmethanofuran dehydrogenase subunit fwdD
K: Tungsten formylmethanofuran dehydrogenase subunit fwdG
L: Tungsten formylmethanofuran dehydrogenase subunit fwdF
M: Tungsten formylmethanofuran dehydrogenase subunit fwdA
N: Tungsten formylmethanofuran dehydrogenase subunit B
O: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
P: Tungsten formylmethanofuran dehydrogenase subunit fwdD
Q: Tungsten formylmethanofuran dehydrogenase subunit fwdG
R: Tungsten formylmethanofuran dehydrogenase subunit fwdF
S: Tungsten formylmethanofuran dehydrogenase subunit fwdA
T: Tungsten formylmethanofuran dehydrogenase subunit B
U: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
V: Tungsten formylmethanofuran dehydrogenase subunit fwdD
W: Tungsten formylmethanofuran dehydrogenase subunit fwdG
X: Tungsten formylmethanofuran dehydrogenase subunit fwdF
Y: Tungsten formylmethanofuran dehydrogenase subunit fwdA
Z: Tungsten formylmethanofuran dehydrogenase subunit B
a: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
b: Tungsten formylmethanofuran dehydrogenase subunit fwdD
c: Tungsten formylmethanofuran dehydrogenase subunit fwdG
d: Tungsten formylmethanofuran dehydrogenase subunit fwdF
e: Tungsten formylmethanofuran dehydrogenase subunit fwdA
f: Tungsten formylmethanofuran dehydrogenase subunit B
g: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
h: Tungsten formylmethanofuran dehydrogenase subunit fwdD
i: Tungsten formylmethanofuran dehydrogenase subunit fwdG
j: Tungsten formylmethanofuran dehydrogenase subunit fwdF
k: Tungsten formylmethanofuran dehydrogenase subunit fwdA
l: Tungsten formylmethanofuran dehydrogenase subunit B
m: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
n: Tungsten formylmethanofuran dehydrogenase subunit fwdD
o: Tungsten formylmethanofuran dehydrogenase subunit fwdG
p: Tungsten formylmethanofuran dehydrogenase subunit fwdF
q: Tungsten formylmethanofuran dehydrogenase subunit fwdA
r: Tungsten formylmethanofuran dehydrogenase subunit B
s: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
t: Tungsten formylmethanofuran dehydrogenase subunit fwdD
u: Tungsten formylmethanofuran dehydrogenase subunit fwdG
v: Tungsten formylmethanofuran dehydrogenase subunit fwdF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,667,213269
Polymers1,611,39048
Non-polymers55,823221
Water11,043613
1
A: Tungsten formylmethanofuran dehydrogenase subunit fwdA
B: Tungsten formylmethanofuran dehydrogenase subunit B
C: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
D: Tungsten formylmethanofuran dehydrogenase subunit fwdD
E: Tungsten formylmethanofuran dehydrogenase subunit fwdG
F: Tungsten formylmethanofuran dehydrogenase subunit fwdF
G: Tungsten formylmethanofuran dehydrogenase subunit fwdA
H: Tungsten formylmethanofuran dehydrogenase subunit B
I: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
J: Tungsten formylmethanofuran dehydrogenase subunit fwdD
K: Tungsten formylmethanofuran dehydrogenase subunit fwdG
L: Tungsten formylmethanofuran dehydrogenase subunit fwdF
M: Tungsten formylmethanofuran dehydrogenase subunit fwdA
N: Tungsten formylmethanofuran dehydrogenase subunit B
O: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
P: Tungsten formylmethanofuran dehydrogenase subunit fwdD
Q: Tungsten formylmethanofuran dehydrogenase subunit fwdG
R: Tungsten formylmethanofuran dehydrogenase subunit fwdF
S: Tungsten formylmethanofuran dehydrogenase subunit fwdA
T: Tungsten formylmethanofuran dehydrogenase subunit B
U: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
V: Tungsten formylmethanofuran dehydrogenase subunit fwdD
W: Tungsten formylmethanofuran dehydrogenase subunit fwdG
X: Tungsten formylmethanofuran dehydrogenase subunit fwdF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)833,499132
Polymers805,69524
Non-polymers27,804108
Water43224
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
Y: Tungsten formylmethanofuran dehydrogenase subunit fwdA
Z: Tungsten formylmethanofuran dehydrogenase subunit B
a: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
b: Tungsten formylmethanofuran dehydrogenase subunit fwdD
c: Tungsten formylmethanofuran dehydrogenase subunit fwdG
d: Tungsten formylmethanofuran dehydrogenase subunit fwdF
e: Tungsten formylmethanofuran dehydrogenase subunit fwdA
f: Tungsten formylmethanofuran dehydrogenase subunit B
g: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
h: Tungsten formylmethanofuran dehydrogenase subunit fwdD
i: Tungsten formylmethanofuran dehydrogenase subunit fwdG
j: Tungsten formylmethanofuran dehydrogenase subunit fwdF
k: Tungsten formylmethanofuran dehydrogenase subunit fwdA
l: Tungsten formylmethanofuran dehydrogenase subunit B
m: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
n: Tungsten formylmethanofuran dehydrogenase subunit fwdD
o: Tungsten formylmethanofuran dehydrogenase subunit fwdG
p: Tungsten formylmethanofuran dehydrogenase subunit fwdF
q: Tungsten formylmethanofuran dehydrogenase subunit fwdA
r: Tungsten formylmethanofuran dehydrogenase subunit B
s: Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C
t: Tungsten formylmethanofuran dehydrogenase subunit fwdD
u: Tungsten formylmethanofuran dehydrogenase subunit fwdG
v: Tungsten formylmethanofuran dehydrogenase subunit fwdF
hetero molecules


Theoretical massNumber of molelcules
Total (without water)833,714137
Polymers805,69524
Non-polymers28,019113
Water43224
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)174.183, 173.681, 183.162
Angle α, β, γ (deg.)89.980, 95.420, 92.140
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain I and (resseq 3:8 or resseq 10:28 or resseq...
21(chain C and (resseq 3:8 or resseq 10:28 or resseq...
31(chain O and (resseq 3:8 or resseq 10:28 or resseq...
41(chain U and (resseq 3:8 or resseq 10:28 or resseq...
51(chain a and (resseq 3:8 or resseq 10:28 or resseq...
61(chain g and (resseq 3:8 or resseq 10:28 or resseq...
71(chain m and (resseq 3:8 or resseq 10:28 or resseq...
81(chain s and (resseq 3:8 or resseq 10:28 or resseq...
12(chain B and ((resid 1 and (name N or name...
22(chain H and ((resid 1 and (name N or name...
32(chain N and ((resid 1 and (name N or name...
42(chain T and ((resid 1 and (name N or name...
52(chain Z and ((resid 1 and (name N or name...
62(chain f and ((resid 1 and (name N or name...
72(chain l and ((resid 1 and (name N or name...
82(chain r and ((resid 1 and (name N or name...
13(chain F and ((resid 7 and (name N or name...
23(chain L and ((resid 7 and (name N or name...
33(chain R and ((resid 7 and (name N or name...
43(chain X and ((resid 7 and (name N or name...
53(chain d and ((resid 7 and (name N or name...
63(chain j and ((resid 7 and (name N or name...
73(chain p and ((resid 7 and (name N or name...
83(chain v and ((resid 7 and (name N or name...
14(chain D and ((resid 1 and (name N or name...
24(chain J and ((resid 1 and (name N or name...
34(chain P and ((resid 1 and (name N or name...
44(chain V and ((resid 1 and (name N or name...
54(chain b and ((resid 1 and (name N or name...
64(chain h and ((resid 1 and (name N or name...
74(chain n and ((resid 1 and (name N or name...
84(chain t and ((resid 1 and (name N or name...
15(chain E and ((resid 2 and (name O or name...
25(chain K and ((resid 2 and (name N or name...
35(chain Q and ((resid 2 and (name N or name...
45(chain W and ((resid 2 and (name N or name...
55(chain c and ((resid 2 and (name N or name...
65(chain i and ((resid 2 and (name N or name...
75(chain o and ((resid 2 and (name N or name...
85(chain u and ((resid 2 and (name N or name...
16(chain A and (resseq 2:22 or (resid 23 and (name...
26(chain G and (resseq 2:22 or (resid 23 and (name...
36(chain M and (resseq 2:22 or (resid 23 and (name...
46(chain S and (resseq 2:22 or (resid 23 and (name...
56(chain Y and (resseq 2:22 or (resid 23 and (name...
66(chain e and (resseq 2:22 or (resid 23 and (name...
76(chain k and (resseq 2:22 or (resid 23 and (name...
86(chain q and (resseq 2:22 or (resid 23 and (name...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain I and (resseq 3:8 or resseq 10:28 or resseq...I3 - 8
121(chain I and (resseq 3:8 or resseq 10:28 or resseq...I10 - 28
131(chain I and (resseq 3:8 or resseq 10:28 or resseq...I30 - 31
141(chain I and (resseq 3:8 or resseq 10:28 or resseq...I33 - 43
151(chain I and (resseq 3:8 or resseq 10:28 or resseq...I45 - 50
161(chain I and (resseq 3:8 or resseq 10:28 or resseq...I51
171(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
181(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
191(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
1101(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
1111(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
1121(chain I and (resseq 3:8 or resseq 10:28 or resseq...I2 - 270
211(chain C and (resseq 3:8 or resseq 10:28 or resseq...C3 - 8
221(chain C and (resseq 3:8 or resseq 10:28 or resseq...C10 - 28
231(chain C and (resseq 3:8 or resseq 10:28 or resseq...C30 - 31
241(chain C and (resseq 3:8 or resseq 10:28 or resseq...C33 - 43
251(chain C and (resseq 3:8 or resseq 10:28 or resseq...C45 - 50
261(chain C and (resseq 3:8 or resseq 10:28 or resseq...C51
271(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
281(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
291(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
2101(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
2111(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
2121(chain C and (resseq 3:8 or resseq 10:28 or resseq...C2 - 268
311(chain O and (resseq 3:8 or resseq 10:28 or resseq...O3 - 8
321(chain O and (resseq 3:8 or resseq 10:28 or resseq...O10 - 28
331(chain O and (resseq 3:8 or resseq 10:28 or resseq...O30 - 31
341(chain O and (resseq 3:8 or resseq 10:28 or resseq...O33 - 43
351(chain O and (resseq 3:8 or resseq 10:28 or resseq...O45 - 50
361(chain O and (resseq 3:8 or resseq 10:28 or resseq...O51
371(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
381(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
391(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
3101(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
3111(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
3121(chain O and (resseq 3:8 or resseq 10:28 or resseq...O2 - 269
411(chain U and (resseq 3:8 or resseq 10:28 or resseq...U3 - 8
421(chain U and (resseq 3:8 or resseq 10:28 or resseq...U10 - 28
431(chain U and (resseq 3:8 or resseq 10:28 or resseq...U30 - 31
441(chain U and (resseq 3:8 or resseq 10:28 or resseq...U33 - 43
451(chain U and (resseq 3:8 or resseq 10:28 or resseq...U45 - 50
461(chain U and (resseq 3:8 or resseq 10:28 or resseq...U51
471(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
481(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
491(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
4101(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
4111(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
4121(chain U and (resseq 3:8 or resseq 10:28 or resseq...U2 - 269
511(chain a and (resseq 3:8 or resseq 10:28 or resseq...a3 - 8
521(chain a and (resseq 3:8 or resseq 10:28 or resseq...a10 - 28
531(chain a and (resseq 3:8 or resseq 10:28 or resseq...a30 - 31
541(chain a and (resseq 3:8 or resseq 10:28 or resseq...a33 - 43
551(chain a and (resseq 3:8 or resseq 10:28 or resseq...a45 - 50
561(chain a and (resseq 3:8 or resseq 10:28 or resseq...a51
571(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
581(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
591(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
5101(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
5111(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
5121(chain a and (resseq 3:8 or resseq 10:28 or resseq...a2 - 269
611(chain g and (resseq 3:8 or resseq 10:28 or resseq...g3 - 8
621(chain g and (resseq 3:8 or resseq 10:28 or resseq...g10 - 28
631(chain g and (resseq 3:8 or resseq 10:28 or resseq...g30 - 31
641(chain g and (resseq 3:8 or resseq 10:28 or resseq...g33 - 43
651(chain g and (resseq 3:8 or resseq 10:28 or resseq...g45 - 50
661(chain g and (resseq 3:8 or resseq 10:28 or resseq...g51
671(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
681(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
691(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
6101(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
6111(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
6121(chain g and (resseq 3:8 or resseq 10:28 or resseq...g2 - 269
711(chain m and (resseq 3:8 or resseq 10:28 or resseq...m3 - 8
721(chain m and (resseq 3:8 or resseq 10:28 or resseq...m10 - 28
731(chain m and (resseq 3:8 or resseq 10:28 or resseq...m30 - 31
741(chain m and (resseq 3:8 or resseq 10:28 or resseq...m33 - 43
751(chain m and (resseq 3:8 or resseq 10:28 or resseq...m45 - 50
761(chain m and (resseq 3:8 or resseq 10:28 or resseq...m51
771(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
781(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
791(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
7101(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
7111(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
7121(chain m and (resseq 3:8 or resseq 10:28 or resseq...m2 - 269
811(chain s and (resseq 3:8 or resseq 10:28 or resseq...s3 - 8
821(chain s and (resseq 3:8 or resseq 10:28 or resseq...s10 - 28
831(chain s and (resseq 3:8 or resseq 10:28 or resseq...s30 - 31
841(chain s and (resseq 3:8 or resseq 10:28 or resseq...s33 - 43
851(chain s and (resseq 3:8 or resseq 10:28 or resseq...s45 - 50
861(chain s and (resseq 3:8 or resseq 10:28 or resseq...s51
871(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
881(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
891(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
8101(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
8111(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
8121(chain s and (resseq 3:8 or resseq 10:28 or resseq...s2 - 271
112(chain B and ((resid 1 and (name N or name...B1
122(chain B and ((resid 1 and (name N or name...B1 - 455
132(chain B and ((resid 1 and (name N or name...B1 - 455
142(chain B and ((resid 1 and (name N or name...B1 - 455
152(chain B and ((resid 1 and (name N or name...B1 - 455
162(chain B and ((resid 1 and (name N or name...B1 - 455
212(chain H and ((resid 1 and (name N or name...H1
222(chain H and ((resid 1 and (name N or name...H1 - 429
232(chain H and ((resid 1 and (name N or name...H1 - 429
242(chain H and ((resid 1 and (name N or name...H1 - 429
252(chain H and ((resid 1 and (name N or name...H1 - 429
262(chain H and ((resid 1 and (name N or name...H1 - 429
312(chain N and ((resid 1 and (name N or name...N1
322(chain N and ((resid 1 and (name N or name...N1 - 430
332(chain N and ((resid 1 and (name N or name...N1 - 430
342(chain N and ((resid 1 and (name N or name...N1 - 430
352(chain N and ((resid 1 and (name N or name...N1 - 430
362(chain N and ((resid 1 and (name N or name...N1 - 430
412(chain T and ((resid 1 and (name N or name...T1
422(chain T and ((resid 1 and (name N or name...T1 - 429
432(chain T and ((resid 1 and (name N or name...T1 - 429
442(chain T and ((resid 1 and (name N or name...T1 - 429
452(chain T and ((resid 1 and (name N or name...T1 - 429
462(chain T and ((resid 1 and (name N or name...T1 - 429
512(chain Z and ((resid 1 and (name N or name...Z1
522(chain Z and ((resid 1 and (name N or name...Z1 - 430
532(chain Z and ((resid 1 and (name N or name...Z1 - 430
542(chain Z and ((resid 1 and (name N or name...Z1 - 430
552(chain Z and ((resid 1 and (name N or name...Z1 - 430
562(chain Z and ((resid 1 and (name N or name...Z1 - 430
612(chain f and ((resid 1 and (name N or name...f1
622(chain f and ((resid 1 and (name N or name...f1 - 429
632(chain f and ((resid 1 and (name N or name...f1 - 429
642(chain f and ((resid 1 and (name N or name...f1 - 429
652(chain f and ((resid 1 and (name N or name...f1 - 429
662(chain f and ((resid 1 and (name N or name...f1 - 429
712(chain l and ((resid 1 and (name N or name...l1
722(chain l and ((resid 1 and (name N or name...l1 - 430
732(chain l and ((resid 1 and (name N or name...l1 - 430
742(chain l and ((resid 1 and (name N or name...l1 - 430
752(chain l and ((resid 1 and (name N or name...l1 - 430
762(chain l and ((resid 1 and (name N or name...l1 - 430
812(chain r and ((resid 1 and (name N or name...r1
822(chain r and ((resid 1 and (name N or name...r1 - 430
832(chain r and ((resid 1 and (name N or name...r1 - 430
842(chain r and ((resid 1 and (name N or name...r1 - 430
852(chain r and ((resid 1 and (name N or name...r1 - 430
862(chain r and ((resid 1 and (name N or name...r1 - 430
113(chain F and ((resid 7 and (name N or name...F7
123(chain F and ((resid 7 and (name N or name...F3 - 349
133(chain F and ((resid 7 and (name N or name...F3 - 349
143(chain F and ((resid 7 and (name N or name...F3 - 349
153(chain F and ((resid 7 and (name N or name...F3 - 349
213(chain L and ((resid 7 and (name N or name...L7
223(chain L and ((resid 7 and (name N or name...L2 - 349
233(chain L and ((resid 7 and (name N or name...L2 - 349
243(chain L and ((resid 7 and (name N or name...L2 - 349
253(chain L and ((resid 7 and (name N or name...L2 - 349
313(chain R and ((resid 7 and (name N or name...R7
323(chain R and ((resid 7 and (name N or name...R6 - 349
333(chain R and ((resid 7 and (name N or name...R6 - 349
343(chain R and ((resid 7 and (name N or name...R6 - 349
353(chain R and ((resid 7 and (name N or name...R6 - 349
413(chain X and ((resid 7 and (name N or name...X7
423(chain X and ((resid 7 and (name N or name...X4 - 349
433(chain X and ((resid 7 and (name N or name...X4 - 349
443(chain X and ((resid 7 and (name N or name...X4 - 349
453(chain X and ((resid 7 and (name N or name...X4 - 349
513(chain d and ((resid 7 and (name N or name...d7
523(chain d and ((resid 7 and (name N or name...d7 - 349
533(chain d and ((resid 7 and (name N or name...d7 - 349
543(chain d and ((resid 7 and (name N or name...d7 - 349
553(chain d and ((resid 7 and (name N or name...d7 - 349
613(chain j and ((resid 7 and (name N or name...j7
623(chain j and ((resid 7 and (name N or name...j3 - 349
633(chain j and ((resid 7 and (name N or name...j3 - 349
643(chain j and ((resid 7 and (name N or name...j3 - 349
653(chain j and ((resid 7 and (name N or name...j3 - 349
713(chain p and ((resid 7 and (name N or name...p7
723(chain p and ((resid 7 and (name N or name...p2 - 349
733(chain p and ((resid 7 and (name N or name...p2 - 349
743(chain p and ((resid 7 and (name N or name...p2 - 349
753(chain p and ((resid 7 and (name N or name...p2 - 349
813(chain v and ((resid 7 and (name N or name...v7
823(chain v and ((resid 7 and (name N or name...v2 - 349
833(chain v and ((resid 7 and (name N or name...v2 - 349
843(chain v and ((resid 7 and (name N or name...v2 - 349
853(chain v and ((resid 7 and (name N or name...v2 - 349
114(chain D and ((resid 1 and (name N or name...D1
124(chain D and ((resid 1 and (name N or name...D1 - 129
134(chain D and ((resid 1 and (name N or name...D1 - 129
144(chain D and ((resid 1 and (name N or name...D1 - 129
154(chain D and ((resid 1 and (name N or name...D1 - 129
164(chain D and ((resid 1 and (name N or name...D1 - 129
214(chain J and ((resid 1 and (name N or name...J1
224(chain J and ((resid 1 and (name N or name...J1 - 129
234(chain J and ((resid 1 and (name N or name...J1 - 129
244(chain J and ((resid 1 and (name N or name...J1 - 129
254(chain J and ((resid 1 and (name N or name...J1 - 129
264(chain J and ((resid 1 and (name N or name...J1 - 129
314(chain P and ((resid 1 and (name N or name...P1
324(chain P and ((resid 1 and (name N or name...P1 - 129
334(chain P and ((resid 1 and (name N or name...P1 - 129
344(chain P and ((resid 1 and (name N or name...P1 - 129
354(chain P and ((resid 1 and (name N or name...P1 - 129
364(chain P and ((resid 1 and (name N or name...P1 - 129
414(chain V and ((resid 1 and (name N or name...V1
424(chain V and ((resid 1 and (name N or name...V1 - 129
434(chain V and ((resid 1 and (name N or name...V1 - 129
444(chain V and ((resid 1 and (name N or name...V1 - 129
454(chain V and ((resid 1 and (name N or name...V1 - 129
464(chain V and ((resid 1 and (name N or name...V1 - 129
514(chain b and ((resid 1 and (name N or name...b1
524(chain b and ((resid 1 and (name N or name...b1 - 129
534(chain b and ((resid 1 and (name N or name...b1 - 129
544(chain b and ((resid 1 and (name N or name...b1 - 129
554(chain b and ((resid 1 and (name N or name...b1 - 129
564(chain b and ((resid 1 and (name N or name...b1 - 129
614(chain h and ((resid 1 and (name N or name...h1
624(chain h and ((resid 1 and (name N or name...h1 - 129
634(chain h and ((resid 1 and (name N or name...h1 - 129
644(chain h and ((resid 1 and (name N or name...h1 - 129
654(chain h and ((resid 1 and (name N or name...h1 - 129
664(chain h and ((resid 1 and (name N or name...h1 - 129
714(chain n and ((resid 1 and (name N or name...n1
724(chain n and ((resid 1 and (name N or name...n1 - 129
734(chain n and ((resid 1 and (name N or name...n1 - 129
744(chain n and ((resid 1 and (name N or name...n1 - 129
754(chain n and ((resid 1 and (name N or name...n1 - 129
764(chain n and ((resid 1 and (name N or name...n1 - 129
814(chain t and ((resid 1 and (name N or name...t1
824(chain t and ((resid 1 and (name N or name...t1 - 129
834(chain t and ((resid 1 and (name N or name...t1 - 129
844(chain t and ((resid 1 and (name N or name...t1 - 129
854(chain t and ((resid 1 and (name N or name...t1 - 129
864(chain t and ((resid 1 and (name N or name...t1 - 129
115(chain E and ((resid 2 and (name O or name...E2
125(chain E and ((resid 2 and (name O or name...E2 - 81
135(chain E and ((resid 2 and (name O or name...E2 - 81
215(chain K and ((resid 2 and (name N or name...K2
225(chain K and ((resid 2 and (name N or name...K2 - 81
235(chain K and ((resid 2 and (name N or name...K2 - 81
315(chain Q and ((resid 2 and (name N or name...Q2
325(chain Q and ((resid 2 and (name N or name...Q2 - 81
335(chain Q and ((resid 2 and (name N or name...Q2 - 81
415(chain W and ((resid 2 and (name N or name...W2
425(chain W and ((resid 2 and (name N or name...W2 - 81
435(chain W and ((resid 2 and (name N or name...W2 - 81
515(chain c and ((resid 2 and (name N or name...c2
525(chain c and ((resid 2 and (name N or name...c2 - 81
535(chain c and ((resid 2 and (name N or name...c2 - 81
615(chain i and ((resid 2 and (name N or name...i2
625(chain i and ((resid 2 and (name N or name...i2 - 81
635(chain i and ((resid 2 and (name N or name...i2 - 81
715(chain o and ((resid 2 and (name N or name...o2
725(chain o and ((resid 2 and (name N or name...o2 - 81
735(chain o and ((resid 2 and (name N or name...o2 - 81
815(chain u and ((resid 2 and (name N or name...u2
825(chain u and ((resid 2 and (name N or name...u2 - 82
835(chain u and ((resid 2 and (name N or name...u2 - 82
116(chain A and (resseq 2:22 or (resid 23 and (name...A2 - 22
126(chain A and (resseq 2:22 or (resid 23 and (name...A23
136(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
146(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
156(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
166(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
176(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
186(chain A and (resseq 2:22 or (resid 23 and (name...A1 - 569
216(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 22
226(chain G and (resseq 2:22 or (resid 23 and (name...G23
236(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
246(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
256(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
266(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
276(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
286(chain G and (resseq 2:22 or (resid 23 and (name...G2 - 569
316(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 22
326(chain M and (resseq 2:22 or (resid 23 and (name...M23
336(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
346(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
356(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
366(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
376(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
386(chain M and (resseq 2:22 or (resid 23 and (name...M2 - 569
416(chain S and (resseq 2:22 or (resid 23 and (name...S2 - 22
426(chain S and (resseq 2:22 or (resid 23 and (name...S23
436(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
446(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
456(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
466(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
476(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
486(chain S and (resseq 2:22 or (resid 23 and (name...S1 - 569
516(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 22
526(chain Y and (resseq 2:22 or (resid 23 and (name...Y23
536(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
546(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
556(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
566(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
576(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
586(chain Y and (resseq 2:22 or (resid 23 and (name...Y2 - 569
616(chain e and (resseq 2:22 or (resid 23 and (name...e2 - 22
626(chain e and (resseq 2:22 or (resid 23 and (name...e23
636(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
646(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
656(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
666(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
676(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
686(chain e and (resseq 2:22 or (resid 23 and (name...e1 - 569
716(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 22
726(chain k and (resseq 2:22 or (resid 23 and (name...k23
736(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
746(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
756(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
766(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
776(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
786(chain k and (resseq 2:22 or (resid 23 and (name...k2 - 569
816(chain q and (resseq 2:22 or (resid 23 and (name...q2 - 22
826(chain q and (resseq 2:22 or (resid 23 and (name...q23
836(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569
846(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569
856(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569
866(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569
876(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569
886(chain q and (resseq 2:22 or (resid 23 and (name...q1 - 569

NCS ensembles :
ID
1
2
3
4
5
6

-
Components

-
Tungsten formylmethanofuran dehydrogenase subunit ... , 5 types, 40 molecules AGMSYekqBHNTZflrDJPVbhntEKQWci...

#1: Protein
Tungsten formylmethanofuran dehydrogenase subunit fwdA


Mass: 62806.594 Da / Num. of mol.: 8 / Source method: isolated from a natural source
Details: FwdA subunit contains a carboxylysine at position 178
Source: (natural) Methanothermobacter wolfeii (archaea)
#2: Protein
Tungsten formylmethanofuran dehydrogenase subunit B


Mass: 48411.355 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Methanothermobacter sp. CaT2 (archaea)
#4: Protein
Tungsten formylmethanofuran dehydrogenase subunit fwdD


Mass: 14408.779 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Methanothermobacter wolfeii (archaea)
#5: Protein
Tungsten formylmethanofuran dehydrogenase subunit fwdG


Mass: 8564.948 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Methanothermobacter wolfeii (archaea)
#6: Protein
Tungsten formylmethanofuran dehydrogenase subunit fwdF


Mass: 38618.570 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Methanothermobacter wolfeii (archaea)

-
Protein , 1 types, 8 molecules CIOUagms

#3: Protein
Tungsten-containing formylmethanofuran dehydrogenase 2 subunit C / Tungsten-containing formylmethanofuran dehydrogenase II subunit C


Mass: 28613.471 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Source: (natural) Methanothermobacter wolfeii (archaea) / References: formylmethanofuran dehydrogenase

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Non-polymers , 11 types, 834 molecules

#7: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Zn
#8: 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.: 8 / Source method: obtained synthetically / Formula: C35H44N4O16
#9: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Na
#10: Chemical...
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 57 / Source method: obtained synthetically / Formula: K
#11: Chemical...
ChemComp-SF4 / IRON/SULFUR CLUSTER


Mass: 351.640 Da / Num. of mol.: 92 / Source method: obtained synthetically / Formula: Fe4S4
#12: Chemical
ChemComp-W / TUNGSTEN ION


Mass: 183.840 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: W
#13: Chemical
ChemComp-MGD / 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE / MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE


Mass: 740.557 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C20H26N10O13P2S2
#14: Chemical
ChemComp-H2S / HYDROSULFURIC ACID / HYDROGEN SULFIDE


Mass: 34.081 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: H2S
#15: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#16: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#17: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 613 / Source method: isolated from a natural source / Formula: H2O

-
Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 3.43 Å3/Da / Density % sol: 64.17 %
Description: Brown plate crystals, the thickest plate give the best diffraction. Crystal can have a length of 600 um.
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 100 mM Tricine/NaOH, pH 8.0, 30% (v/v) pentaerythritol propoxylate 426 (5/4 PO/OH), and 400 mM KCl. The crystallized sample has to be anoxic and extremely fresh (crystallized after 3 days of ...Details: 100 mM Tricine/NaOH, pH 8.0, 30% (v/v) pentaerythritol propoxylate 426 (5/4 PO/OH), and 400 mM KCl. The crystallized sample has to be anoxic and extremely fresh (crystallized after 3 days of purification) without any freezing step. The optimal protein concentration is about 20-35 mg/ml. Drops are made by mixing 1 ul protein and 1 ul precipitant. Crystals appeared after 3-5 days.
PH range: 7.5-8.5 / Temp details: Only one temperature has been tested

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.00006 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jul 4, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.00006 Å / Relative weight: 1
ReflectionResolution: 2.55→49.08 Å / Num. obs: 673754 / % possible obs: 96.8 % / Redundancy: 2.6 % / CC1/2: 0.979 / Rmerge(I) obs: 0.14 / Rsym value: 0.1 / Net I/σ(I): 5.5
Reflection shellResolution: 2.55→2.69 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.698 / Mean I/σ(I) obs: 1.5 / CC1/2: 0.465 / % possible all: 97

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
PDB_EXTRACT3.2data extraction
XDSdata reduction
SCALA3.3.22data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ID : 5T5I

5t5i


Resolution: 2.55→48.967 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 26.88
RfactorNum. reflection% reflectionSelection details
Rfree0.2593 34085 5.06 %Random selection
Rwork0.2292 ---
obs0.2307 673055 96.68 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 151.68 Å2 / Biso mean: 46.5475 Å2 / Biso min: 15.84 Å2
Refinement stepCycle: final / Resolution: 2.55→48.967 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms111691 0 2017 613 114321
Biso mean--46.36 39.44 -
Num. residues----14548
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.008116322
X-RAY DIFFRACTIONf_angle_d1.594158599
X-RAY DIFFRACTIONf_chiral_restr0.16317744
X-RAY DIFFRACTIONf_plane_restr0.00620382
X-RAY DIFFRACTIONf_dihedral_angle_d17.81870055
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11I9086X-RAY DIFFRACTION9.502TORSIONAL
12C9086X-RAY DIFFRACTION9.502TORSIONAL
13O9086X-RAY DIFFRACTION9.502TORSIONAL
14U9086X-RAY DIFFRACTION9.502TORSIONAL
15a9086X-RAY DIFFRACTION9.502TORSIONAL
16g9086X-RAY DIFFRACTION9.502TORSIONAL
17m9086X-RAY DIFFRACTION9.502TORSIONAL
18s9086X-RAY DIFFRACTION9.502TORSIONAL
21B15684X-RAY DIFFRACTION9.502TORSIONAL
22H15684X-RAY DIFFRACTION9.502TORSIONAL
23N15684X-RAY DIFFRACTION9.502TORSIONAL
24T15684X-RAY DIFFRACTION9.502TORSIONAL
25Z15684X-RAY DIFFRACTION9.502TORSIONAL
26f15684X-RAY DIFFRACTION9.502TORSIONAL
27l15684X-RAY DIFFRACTION9.502TORSIONAL
28r15684X-RAY DIFFRACTION9.502TORSIONAL
31F11622X-RAY DIFFRACTION9.502TORSIONAL
32L11622X-RAY DIFFRACTION9.502TORSIONAL
33R11622X-RAY DIFFRACTION9.502TORSIONAL
34X11622X-RAY DIFFRACTION9.502TORSIONAL
35d11622X-RAY DIFFRACTION9.502TORSIONAL
36j11622X-RAY DIFFRACTION9.502TORSIONAL
37p11622X-RAY DIFFRACTION9.502TORSIONAL
38v11622X-RAY DIFFRACTION9.502TORSIONAL
41D4692X-RAY DIFFRACTION9.502TORSIONAL
42J4692X-RAY DIFFRACTION9.502TORSIONAL
43P4692X-RAY DIFFRACTION9.502TORSIONAL
44V4692X-RAY DIFFRACTION9.502TORSIONAL
45b4692X-RAY DIFFRACTION9.502TORSIONAL
46h4692X-RAY DIFFRACTION9.502TORSIONAL
47n4692X-RAY DIFFRACTION9.502TORSIONAL
48t4692X-RAY DIFFRACTION9.502TORSIONAL
51E2863X-RAY DIFFRACTION9.502TORSIONAL
52K2863X-RAY DIFFRACTION9.502TORSIONAL
53Q2863X-RAY DIFFRACTION9.502TORSIONAL
54W2863X-RAY DIFFRACTION9.502TORSIONAL
55c2863X-RAY DIFFRACTION9.502TORSIONAL
56i2863X-RAY DIFFRACTION9.502TORSIONAL
57o2863X-RAY DIFFRACTION9.502TORSIONAL
58u2863X-RAY DIFFRACTION9.502TORSIONAL
61A19793X-RAY DIFFRACTION9.502TORSIONAL
62G19793X-RAY DIFFRACTION9.502TORSIONAL
63M19793X-RAY DIFFRACTION9.502TORSIONAL
64S19793X-RAY DIFFRACTION9.502TORSIONAL
65Y19793X-RAY DIFFRACTION9.502TORSIONAL
66e19793X-RAY DIFFRACTION9.502TORSIONAL
67k19793X-RAY DIFFRACTION9.502TORSIONAL
68q19793X-RAY DIFFRACTION9.502TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.55-2.5790.367110440.3363206122165694
2.579-2.60930.365110450.3301214262247197
2.6093-2.64110.346410970.3187214882258597
2.6411-2.67460.340910810.309214952257698
2.6746-2.70980.325211690.288215132268298
2.7098-2.74690.318111460.2918214002254697
2.7469-2.78610.314211930.2848214312262498
2.7861-2.82770.327711500.2815214622261297
2.8277-2.87190.325311850.2821215902277598
2.8719-2.9190.327112560.2829213442260098
2.919-2.96930.302312040.2759215502275498
2.9693-3.02330.30311970.2673213222251997
3.0233-3.08140.30411760.2576214512262797
3.0814-3.14430.287711620.2575212762243897
3.1443-3.21260.292412080.2519214472265597
3.2126-3.28740.279912130.2458213132252697
3.2874-3.36960.264112700.2363211972246797
3.3696-3.46060.265112410.2288212562249797
3.4606-3.56240.260112290.2229212242245397
3.5624-3.67740.258911120.2237212932240597
3.6774-3.80880.250412200.2184211812240196
3.8088-3.96120.234811170.2126211572227496
3.9612-4.14140.233710580.2027211962225496
4.1414-4.35960.22488920.1999214032229596
4.3596-4.63260.208310730.1916209752204895
4.6326-4.98990.214411410.1966210522219395
4.9899-5.49150.21969290.2014212512218096
5.4915-6.28470.224910420.201212602230296
6.2847-7.91270.228911430.2022212092235296
7.9127-48.97630.225810920.2027211962228896

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New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
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