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- PDB-7npa: Crystal structure of the Coenzyme F420-dependent sulfite reductas... -

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Basic information

Entry
Database: PDB / ID: 7npa
TitleCrystal structure of the Coenzyme F420-dependent sulfite reductase from Methanothermococcus thermolithotrophicus at 1.55-A resolution
ComponentsCoenzyme F420-dependent sulfite reductase
KeywordsOXIDOREDUCTASE / Sulfite detoxification / Sulfur metabolism / sulfide / hydrogenotrophic methanogens / iron-sulfur cluster / sulfite-reductase evolution / sulfite/nitrite reductase / siroheme / flavin / ferredoxin / F420 / thermophile
Function / homology
Function and homology information


4 iron, 4 sulfur cluster binding / oxidoreductase activity / nucleotide binding / heme binding / metal ion binding
Similarity search - Function
4Fe-4S binding domain / Coenzyme F420 hydrogenase/dehydrogenase beta subunit, N-terminal / Coenzyme F420 hydrogenase/dehydrogenase beta subunit, C-terminal / Oxidoreductase FRHB/FDHB/HCAR-like / Coenzyme F420 hydrogenase/dehydrogenase, beta subunit N-term / Coenzyme F420 hydrogenase/dehydrogenase, beta subunit C terminus / 4Fe-4S dicluster domain / Nitrite/sulphite reductase iron-sulphur/sirohaem-binding site / Nitrite and sulfite reductases iron-sulfur/siroheme-binding site. / Nitrite/Sulfite reductase ferredoxin-like domain ...4Fe-4S binding domain / Coenzyme F420 hydrogenase/dehydrogenase beta subunit, N-terminal / Coenzyme F420 hydrogenase/dehydrogenase beta subunit, C-terminal / Oxidoreductase FRHB/FDHB/HCAR-like / Coenzyme F420 hydrogenase/dehydrogenase, beta subunit N-term / Coenzyme F420 hydrogenase/dehydrogenase, beta subunit C terminus / 4Fe-4S dicluster domain / Nitrite/sulphite reductase iron-sulphur/sirohaem-binding site / Nitrite and sulfite reductases iron-sulfur/siroheme-binding site. / Nitrite/Sulfite reductase ferredoxin-like domain / Nitrite/sulphite reductase 4Fe-4S domain / Nitrite/Sulfite reductase ferredoxin-like domain superfamily / Nitrite and sulphite reductase 4Fe-4S domain / Nitrite/Sulfite reductase ferredoxin-like half domain / Nitrite and sulphite reductase 4Fe-4S domain-like superfamily / 4Fe-4S ferredoxin, iron-sulphur binding, conserved site / 4Fe-4S ferredoxin-type iron-sulfur binding region signature. / 4Fe-4S ferredoxin-type iron-sulfur binding domain profile. / 4Fe-4S ferredoxin-type, iron-sulphur binding domain
Similarity search - Domain/homology
FLAVIN-ADENINE DINUCLEOTIDE / HYDROSULFURIC ACID / : / DI(HYDROXYETHYL)ETHER / IRON/SULFUR CLUSTER / SIROHEME / Coenzyme F420-dependent sulfite reductase
Similarity search - Component
Biological speciesMethanothermococcus thermolithotrophicus DSM 2095 (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.55 Å
AuthorsJespersen, M. / Wagner, T.
Funding support Germany, 2items
OrganizationGrant numberCountry
Max Planck Society/ Germany
German Research Foundation (DFG)Schwerpunktprogram 1927 Iron-sulfur for Life WA 4053/1-1 Germany
Citation
Journal: Nat.Chem.Biol. / Year: 2023
Title: Structures of the sulfite detoxifying F 420 -dependent enzyme from Methanococcales.
Authors: Jespersen, M. / Pierik, A.J. / Wagner, T.
#1: Journal: Biorxiv / Year: 2022
Title: The structure of the F420-dependent sulfite-detoxifying enzyme from Methanococcales reveals a prototypical sulfite-reductase with assimilatory traits
Authors: Jespersen, M. / Pierik, A.J. / Wagner, T.
History
DepositionFeb 26, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 23, 2022Provider: repository / Type: Initial release
Revision 1.1Apr 5, 2023Group: Database references / Refinement description
Category: citation / citation_author ...citation / citation_author / pdbx_refine_tls / pdbx_refine_tls_group
Item: _pdbx_refine_tls.origin_x / _pdbx_refine_tls.origin_y ..._pdbx_refine_tls.origin_x / _pdbx_refine_tls.origin_y / _pdbx_refine_tls.origin_z / _pdbx_refine_tls_group.selection_details
Revision 2.0Dec 6, 2023Group: Data collection / Non-polymer description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / entity / pdbx_validate_chiral
Item: _chem_comp.formula / _chem_comp.formula_weight / _entity.formula_weight
Revision 2.1Feb 7, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Coenzyme F420-dependent sulfite reductase
B: Coenzyme F420-dependent sulfite reductase
C: Coenzyme F420-dependent sulfite reductase
D: Coenzyme F420-dependent sulfite reductase
E: Coenzyme F420-dependent sulfite reductase
F: Coenzyme F420-dependent sulfite reductase
G: Coenzyme F420-dependent sulfite reductase
H: Coenzyme F420-dependent sulfite reductase
I: Coenzyme F420-dependent sulfite reductase
J: Coenzyme F420-dependent sulfite reductase
K: Coenzyme F420-dependent sulfite reductase
L: Coenzyme F420-dependent sulfite reductase
M: Coenzyme F420-dependent sulfite reductase
N: Coenzyme F420-dependent sulfite reductase
O: Coenzyme F420-dependent sulfite reductase
P: Coenzyme F420-dependent sulfite reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,184,791375
Polymers1,107,92316
Non-polymers76,868359
Water194,05810772
1
A: Coenzyme F420-dependent sulfite reductase
B: Coenzyme F420-dependent sulfite reductase
C: Coenzyme F420-dependent sulfite reductase
D: Coenzyme F420-dependent sulfite reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)296,378102
Polymers276,9814
Non-polymers19,39798
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area47340 Å2
ΔGint-691 kcal/mol
Surface area90310 Å2
MethodPISA
2
E: Coenzyme F420-dependent sulfite reductase
F: Coenzyme F420-dependent sulfite reductase
G: Coenzyme F420-dependent sulfite reductase
H: Coenzyme F420-dependent sulfite reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)295,58789
Polymers276,9814
Non-polymers18,60785
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area45540 Å2
ΔGint-740 kcal/mol
Surface area90570 Å2
MethodPISA
3
I: Coenzyme F420-dependent sulfite reductase
J: Coenzyme F420-dependent sulfite reductase
K: Coenzyme F420-dependent sulfite reductase
L: Coenzyme F420-dependent sulfite reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)295,69189
Polymers276,9814
Non-polymers18,71185
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area45260 Å2
ΔGint-743 kcal/mol
Surface area90380 Å2
MethodPISA
4
M: Coenzyme F420-dependent sulfite reductase
N: Coenzyme F420-dependent sulfite reductase
O: Coenzyme F420-dependent sulfite reductase
P: Coenzyme F420-dependent sulfite reductase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)297,13595
Polymers276,9814
Non-polymers20,15491
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area46550 Å2
ΔGint-764 kcal/mol
Surface area90720 Å2
MethodPISA
Unit cell
Length a, b, c (Å)113.148, 124.157, 241.062
Angle α, β, γ (deg.)102.280, 95.710, 90.250
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 2 through 4 or resid 6...
21(chain B and (resid 2 through 4 or resid 6...
31(chain C and (resid 2 through 4 or resid 6...
41(chain D and (resid 2 through 4 or resid 6...
51(chain E and (resid 2 through 4 or resid 6...
61(chain F and (resid 2 through 4 or resid 6...
71(chain G and (resid 2 through 4 or resid 6...
81(chain H and (resid 2 through 4 or resid 6...
91(chain I and (resid 2 through 4 or resid 6...
101(chain J and (resid 2 through 4 or resid 6...
111(chain K and (resid 2 through 4 or resid 6...
121(chain L and (resid 2 through 4 or resid 6...
131(chain M and (resid 2 through 4 or resid 6...
141(chain N and (resid 2 through 4 or resid 6...
151(chain O and (resid 2 through 4 or resid 6...
161(chain P and (resid 2 through 4 or resid 6...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 2 through 4 or resid 6...A2 - 4
121(chain A and (resid 2 through 4 or resid 6...A6 - 60
131(chain A and (resid 2 through 4 or resid 6...A62 - 70
141(chain A and (resid 2 through 4 or resid 6...A452
151(chain A and (resid 2 through 4 or resid 6...A1 - 618
161(chain A and (resid 2 through 4 or resid 6...A6 - 510
171(chain A and (resid 2 through 4 or resid 6...A512 - 514
181(chain A and (resid 2 through 4 or resid 6...A530 - 568
191(chain A and (resid 2 through 4 or resid 6...A613 - 611
1101(chain A and (resid 2 through 4 or resid 6...A613 - 618
1111(chain A and (resid 2 through 4 or resid 6...A1201 - 1601
211(chain B and (resid 2 through 4 or resid 6...B2 - 4
221(chain B and (resid 2 through 4 or resid 6...B6 - 60
231(chain B and (resid 2 through 4 or resid 6...B62 - 70
241(chain B and (resid 2 through 4 or resid 6...B1 - 618
251(chain B and (resid 2 through 4 or resid 6...B0
261(chain B and (resid 2 through 4 or resid 6...B454
271(chain B and (resid 2 through 4 or resid 6...B0
281(chain B and (resid 2 through 4 or resid 6...B1 - 618
291(chain B and (resid 2 through 4 or resid 6...B530 - 568
2101(chain B and (resid 2 through 4 or resid 6...B585 - 611
2111(chain B and (resid 2 through 4 or resid 6...B613 - 618
2121(chain B and (resid 2 through 4 or resid 6...B1201 - 1601
311(chain C and (resid 2 through 4 or resid 6...C2 - 4
321(chain C and (resid 2 through 4 or resid 6...C6 - 60
331(chain C and (resid 2 through 4 or resid 6...C62 - 70
341(chain C and (resid 2 through 4 or resid 6...C454
351(chain C and (resid 2 through 4 or resid 6...C452
361(chain C and (resid 2 through 4 or resid 6...C1 - 618
371(chain C and (resid 2 through 4 or resid 6...C1 - 618
381(chain C and (resid 2 through 4 or resid 6...C516 - 528
391(chain C and (resid 2 through 4 or resid 6...C530 - 568
3101(chain C and (resid 2 through 4 or resid 6...C613 - 611
3111(chain C and (resid 2 through 4 or resid 6...C613 - 618
3121(chain C and (resid 2 through 4 or resid 6...C1201 - 1601
411(chain D and (resid 2 through 4 or resid 6...D2 - 4
421(chain D and (resid 2 through 4 or resid 6...D6 - 60
431(chain D and (resid 2 through 4 or resid 6...D62 - 70
441(chain D and (resid 2 through 4 or resid 6...D452
451(chain D and (resid 2 through 4 or resid 6...D2 - 618
461(chain D and (resid 2 through 4 or resid 6...D6 - 510
471(chain D and (resid 2 through 4 or resid 6...D512 - 514
481(chain D and (resid 2 through 4 or resid 6...D530 - 568
491(chain D and (resid 2 through 4 or resid 6...D613 - 611
4101(chain D and (resid 2 through 4 or resid 6...D613 - 617
4111(chain D and (resid 2 through 4 or resid 6...D618
4121(chain D and (resid 2 through 4 or resid 6...D2 - 618
4131(chain D and (resid 2 through 4 or resid 6...D2 - 618
4141(chain D and (resid 2 through 4 or resid 6...D2 - 618
4151(chain D and (resid 2 through 4 or resid 6...D2 - 618
4161(chain D and (resid 2 through 4 or resid 6...D2 - 618
4171(chain D and (resid 2 through 4 or resid 6...D2 - 618
4181(chain D and (resid 2 through 4 or resid 6...D2 - 618
4191(chain D and (resid 2 through 4 or resid 6...D2 - 618
511(chain E and (resid 2 through 4 or resid 6...E2 - 4
521(chain E and (resid 2 through 4 or resid 6...E6 - 60
531(chain E and (resid 2 through 4 or resid 6...E62 - 70
541(chain E and (resid 2 through 4 or resid 6...E311
551(chain E and (resid 2 through 4 or resid 6...E337 - 452
561(chain E and (resid 2 through 4 or resid 6...E454
571(chain E and (resid 2 through 4 or resid 6...E456 - 510
581(chain E and (resid 2 through 4 or resid 6...E512 - 514
591(chain E and (resid 2 through 4 or resid 6...E516 - 528
5101(chain E and (resid 2 through 4 or resid 6...E530 - 568
5111(chain E and (resid 2 through 4 or resid 6...E570 - 583
5121(chain E and (resid 2 through 4 or resid 6...E585 - 611
5131(chain E and (resid 2 through 4 or resid 6...E613 - 618
5141(chain E and (resid 2 through 4 or resid 6...E1201 - 1601
611(chain F and (resid 2 through 4 or resid 6...F2 - 4
621(chain F and (resid 2 through 4 or resid 6...F6 - 60
631(chain F and (resid 2 through 4 or resid 6...F62 - 70
641(chain F and (resid 2 through 4 or resid 6...F311
651(chain F and (resid 2 through 4 or resid 6...F1 - 618
661(chain F and (resid 2 through 4 or resid 6...F1 - 618
671(chain F and (resid 2 through 4 or resid 6...F1 - 618
681(chain F and (resid 2 through 4 or resid 6...F1 - 618
691(chain F and (resid 2 through 4 or resid 6...F516 - 528
6101(chain F and (resid 2 through 4 or resid 6...F0
6111(chain F and (resid 2 through 4 or resid 6...F1 - 618
6121(chain F and (resid 2 through 4 or resid 6...F613 - 618
6131(chain F and (resid 2 through 4 or resid 6...F1201 - 8
6141(chain F and (resid 2 through 4 or resid 6...F1201 - 1601
711(chain G and (resid 2 through 4 or resid 6...G2 - 4
721(chain G and (resid 2 through 4 or resid 6...G6 - 60
731(chain G and (resid 2 through 4 or resid 6...G0
741(chain G and (resid 2 through 4 or resid 6...G452
751(chain G and (resid 2 through 4 or resid 6...G1 - 618
761(chain G and (resid 2 through 4 or resid 6...G6 - 510
771(chain G and (resid 2 through 4 or resid 6...G512 - 514
781(chain G and (resid 2 through 4 or resid 6...G530 - 568
791(chain G and (resid 2 through 4 or resid 6...G613 - 611
7101(chain G and (resid 2 through 4 or resid 6...G613 - 618
7111(chain G and (resid 2 through 4 or resid 6...G1201 - 1601
811(chain H and (resid 2 through 4 or resid 6...H2 - 4
821(chain H and (resid 2 through 4 or resid 6...H6 - 60
831(chain H and (resid 2 through 4 or resid 6...H62 - 70
841(chain H and (resid 2 through 4 or resid 6...H2 - 618
851(chain H and (resid 2 through 4 or resid 6...H0
861(chain H and (resid 2 through 4 or resid 6...H454
871(chain H and (resid 2 through 4 or resid 6...H0
881(chain H and (resid 2 through 4 or resid 6...H2 - 618
891(chain H and (resid 2 through 4 or resid 6...H530 - 568
8101(chain H and (resid 2 through 4 or resid 6...H585 - 611
8111(chain H and (resid 2 through 4 or resid 6...H613 - 618
8121(chain H and (resid 2 through 4 or resid 6...H1201 - 1601
911(chain I and (resid 2 through 4 or resid 6...I2 - 4
921(chain I and (resid 2 through 4 or resid 6...I6 - 60
931(chain I and (resid 2 through 4 or resid 6...I62 - 70
941(chain I and (resid 2 through 4 or resid 6...I311
951(chain I and (resid 2 through 4 or resid 6...I337 - 452
961(chain I and (resid 2 through 4 or resid 6...I454
971(chain I and (resid 2 through 4 or resid 6...I456 - 510
981(chain I and (resid 2 through 4 or resid 6...I512 - 514
991(chain I and (resid 2 through 4 or resid 6...I516 - 528
9101(chain I and (resid 2 through 4 or resid 6...I530 - 568
9111(chain I and (resid 2 through 4 or resid 6...I570 - 583
9121(chain I and (resid 2 through 4 or resid 6...I585 - 611
9131(chain I and (resid 2 through 4 or resid 6...I613 - 618
9141(chain I and (resid 2 through 4 or resid 6...I1201 - 1601
1011(chain J and (resid 2 through 4 or resid 6...J2 - 4
1021(chain J and (resid 2 through 4 or resid 6...J6 - 60
1031(chain J and (resid 2 through 4 or resid 6...J0
1041(chain J and (resid 2 through 4 or resid 6...J1 - 618
1051(chain J and (resid 2 through 4 or resid 6...J456 - 510
1061(chain J and (resid 2 through 4 or resid 6...J6 - 510
1071(chain J and (resid 2 through 4 or resid 6...J512 - 514
1081(chain J and (resid 2 through 4 or resid 6...J516 - 528
1091(chain J and (resid 2 through 4 or resid 6...J570 - 583
10101(chain J and (resid 2 through 4 or resid 6...J613 - 6
10111(chain J and (resid 2 through 4 or resid 6...J613 - 617
10121(chain J and (resid 2 through 4 or resid 6...J618
10131(chain J and (resid 2 through 4 or resid 6...J1 - 618
10141(chain J and (resid 2 through 4 or resid 6...J1 - 618
10151(chain J and (resid 2 through 4 or resid 6...J1 - 618
10161(chain J and (resid 2 through 4 or resid 6...J1 - 618
10171(chain J and (resid 2 through 4 or resid 6...J1 - 618
10181(chain J and (resid 2 through 4 or resid 6...J1 - 618
10191(chain J and (resid 2 through 4 or resid 6...J1 - 618
1111(chain K and (resid 2 through 4 or resid 6...K2 - 4
1121(chain K and (resid 2 through 4 or resid 6...K6 - 60
1131(chain K and (resid 2 through 4 or resid 6...K62 - 70
1141(chain K and (resid 2 through 4 or resid 6...K2 - 618
1151(chain K and (resid 2 through 4 or resid 6...K0
1161(chain K and (resid 2 through 4 or resid 6...K454
1171(chain K and (resid 2 through 4 or resid 6...K0
1181(chain K and (resid 2 through 4 or resid 6...K2 - 618
1191(chain K and (resid 2 through 4 or resid 6...K530 - 568
11101(chain K and (resid 2 through 4 or resid 6...K585 - 611
11111(chain K and (resid 2 through 4 or resid 6...K613 - 618
11121(chain K and (resid 2 through 4 or resid 6...K1201 - 1601
1211(chain L and (resid 2 through 4 or resid 6...L2 - 4
1221(chain L and (resid 2 through 4 or resid 6...L6 - 60
1231(chain L and (resid 2 through 4 or resid 6...L62 - 70
1241(chain L and (resid 2 through 4 or resid 6...L2 - 618
1251(chain L and (resid 2 through 4 or resid 6...L0
1261(chain L and (resid 2 through 4 or resid 6...L454
1271(chain L and (resid 2 through 4 or resid 6...L0
1281(chain L and (resid 2 through 4 or resid 6...L2 - 618
1291(chain L and (resid 2 through 4 or resid 6...L530 - 568
12101(chain L and (resid 2 through 4 or resid 6...L585 - 611
12111(chain L and (resid 2 through 4 or resid 6...L613 - 618
12121(chain L and (resid 2 through 4 or resid 6...L1201 - 1601
1311(chain M and (resid 2 through 4 or resid 6...M2 - 4
1321(chain M and (resid 2 through 4 or resid 6...M6 - 60
1331(chain M and (resid 2 through 4 or resid 6...M62 - 70
1341(chain M and (resid 2 through 4 or resid 6...M311
1351(chain M and (resid 2 through 4 or resid 6...M337 - 452
1361(chain M and (resid 2 through 4 or resid 6...M454
1371(chain M and (resid 2 through 4 or resid 6...M456 - 510
1381(chain M and (resid 2 through 4 or resid 6...M512 - 514
1391(chain M and (resid 2 through 4 or resid 6...M516 - 528
13101(chain M and (resid 2 through 4 or resid 6...M530 - 568
13111(chain M and (resid 2 through 4 or resid 6...M570 - 583
13121(chain M and (resid 2 through 4 or resid 6...M585 - 611
13131(chain M and (resid 2 through 4 or resid 6...M613 - 618
13141(chain M and (resid 2 through 4 or resid 6...M1201 - 1601
1411(chain N and (resid 2 through 4 or resid 6...N2 - 4
1421(chain N and (resid 2 through 4 or resid 6...N6 - 60
1431(chain N and (resid 2 through 4 or resid 6...N62 - 70
1441(chain N and (resid 2 through 4 or resid 6...N311
1451(chain N and (resid 2 through 4 or resid 6...N2 - 618
1461(chain N and (resid 2 through 4 or resid 6...N2 - 618
1471(chain N and (resid 2 through 4 or resid 6...N2 - 618
1481(chain N and (resid 2 through 4 or resid 6...N2 - 618
1491(chain N and (resid 2 through 4 or resid 6...N516 - 528
14101(chain N and (resid 2 through 4 or resid 6...N0
14111(chain N and (resid 2 through 4 or resid 6...N2 - 618
14121(chain N and (resid 2 through 4 or resid 6...N613 - 618
14131(chain N and (resid 2 through 4 or resid 6...N1201 - 8
14141(chain N and (resid 2 through 4 or resid 6...N1201 - 1601
1511(chain O and (resid 2 through 4 or resid 6...O2 - 4
1521(chain O and (resid 2 through 4 or resid 6...O6 - 60
1531(chain O and (resid 2 through 4 or resid 6...O0
1541(chain O and (resid 2 through 4 or resid 6...O452
1551(chain O and (resid 2 through 4 or resid 6...O2 - 618
1561(chain O and (resid 2 through 4 or resid 6...O6 - 510
1571(chain O and (resid 2 through 4 or resid 6...O512 - 514
1581(chain O and (resid 2 through 4 or resid 6...O530 - 568
1591(chain O and (resid 2 through 4 or resid 6...O613 - 611
15101(chain O and (resid 2 through 4 or resid 6...O613 - 618
15111(chain O and (resid 2 through 4 or resid 6...O1201 - 1601
1611(chain P and (resid 2 through 4 or resid 6...P2 - 4
1621(chain P and (resid 2 through 4 or resid 6...P6 - 60
1631(chain P and (resid 2 through 4 or resid 6...P62 - 70
1641(chain P and (resid 2 through 4 or resid 6...P2 - 618
1651(chain P and (resid 2 through 4 or resid 6...P0
1661(chain P and (resid 2 through 4 or resid 6...P454
1671(chain P and (resid 2 through 4 or resid 6...P0
1681(chain P and (resid 2 through 4 or resid 6...P2 - 618
1691(chain P and (resid 2 through 4 or resid 6...P530 - 568
16101(chain P and (resid 2 through 4 or resid 6...P585 - 611
16111(chain P and (resid 2 through 4 or resid 6...P613 - 618
16121(chain P and (resid 2 through 4 or resid 6...P1201 - 1601

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Components

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Protein , 1 types, 16 molecules ABCDEFGHIJKLMNOP

#1: Protein
Coenzyme F420-dependent sulfite reductase


Mass: 69245.164 Da / Num. of mol.: 16 / Mutation: wild-type / Source method: isolated from a natural source / Details: /
Source: (natural) Methanothermococcus thermolithotrophicus DSM 2095 (archaea)
Cell line: / / Organ: / / Plasmid details: / / Variant: / / Strain: DSM 2095 / Tissue: /
References: UniProt: A0A2Z5PF12, sulfite reductase (coenzyme F420)

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Non-polymers , 12 types, 11131 molecules

#2: Chemical...
ChemComp-SF4 / IRON/SULFUR CLUSTER


Mass: 351.640 Da / Num. of mol.: 97 / Source method: obtained synthetically / Formula: Fe4S4 / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical
ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE


Mass: 785.550 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: C27H33N9O15P2 / Feature type: SUBJECT OF INVESTIGATION / Comment: FAD*YM
#4: Chemical...
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 123 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-SRM / SIROHEME


Mass: 916.661 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C42H44FeN4O16 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical...
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 31 / Source method: obtained synthetically / Formula: SO4
#7: Chemical
ChemComp-H2S / HYDROSULFURIC ACID / HYDROGEN SULFIDE


Mass: 34.081 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: H2S / Feature type: SUBJECT OF INVESTIGATION
#8: Chemical...
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 29 / Source method: obtained synthetically / Formula: Cl
#9: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: C3H8O3
#10: Chemical
ChemComp-LI / LITHIUM ION


Mass: 6.941 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Li
#11: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C4H10O3
#12: Chemical ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER


Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#13: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 10772 / Source method: isolated from a natural source / Formula: H2O

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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: 2.98 Å3/Da / Density % sol: 58.68 % / Description: Thick square-shaped brown crystals
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: Fsr from Methanothermococcus thermolithotrophicus was crystallized anaerobically under yellow light at a concentration of 11 mg ml-1 in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol, 2 mM ...Details: Fsr from Methanothermococcus thermolithotrophicus was crystallized anaerobically under yellow light at a concentration of 11 mg ml-1 in 25 mM Tris/HCl pH 7.6, 10% v/v glycerol, 2 mM dithiothreitol, 0.5 mM FAD and 0.0155 mM F420H2. 0.6 ul of sample was mixed with 0.6 ul reservoir solution. The reservoir solution contained 0.2 M Lithium sulfate, 0.1 M Bis-Tris, pH 5.5 and 25 % w/v Polyethylene glycol 3350. Crystals appeared after few days.
PH range: / / Temp details: +/- 1 degree of oscillation

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.00004 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Mar 24, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.00004 Å / Relative weight: 1
ReflectionResolution: 1.55→121.276 Å / Num. obs: 1396397 / % possible obs: 94.5 % / Redundancy: 7 % / CC1/2: 0.996 / Rmerge(I) obs: 0.183 / Rpim(I) all: 0.075 / Rrim(I) all: 0.198 / Net I/σ(I): 8.7
Reflection shellResolution: 1.55→1.689 Å / Redundancy: 6.9 % / Rmerge(I) obs: 1.623 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 69018 / CC1/2: 0.439 / Rpim(I) all: 0.664 / Rrim(I) all: 1.755 / % possible all: 70.9

-
Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
PDB_EXTRACT3.27data extraction
autoPROCdata reduction
autoPROCdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7NP8

7np8


Resolution: 1.55→77.29 Å / SU ML: 0.13 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 18.34 / Stereochemistry target values: ML
Details: The last refinement cycles were performed with hydrogens in riding position.
RfactorNum. reflection% reflection
Rfree0.1711 69210 4.96 %
Rwork0.1588 1326976 -
obs0.1594 1396186 75.51 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 141.69 Å2 / Biso mean: 26.3738 Å2 / Biso min: 5.3 Å2
Refinement stepCycle: final / Resolution: 1.55→77.29 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms77290 0 3554 10774 91618
Biso mean--23.43 35.95 -
Num. residues----9879
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A26768X-RAY DIFFRACTION7.14TORSIONAL
12B26768X-RAY DIFFRACTION7.14TORSIONAL
13C26768X-RAY DIFFRACTION7.14TORSIONAL
14D26768X-RAY DIFFRACTION7.14TORSIONAL
15E26768X-RAY DIFFRACTION7.14TORSIONAL
16F26768X-RAY DIFFRACTION7.14TORSIONAL
17G26768X-RAY DIFFRACTION7.14TORSIONAL
18H26768X-RAY DIFFRACTION7.14TORSIONAL
19I26768X-RAY DIFFRACTION7.14TORSIONAL
110J26768X-RAY DIFFRACTION7.14TORSIONAL
111K26768X-RAY DIFFRACTION7.14TORSIONAL
112L26768X-RAY DIFFRACTION7.14TORSIONAL
113M26768X-RAY DIFFRACTION7.14TORSIONAL
114N26768X-RAY DIFFRACTION7.14TORSIONAL
115O26768X-RAY DIFFRACTION7.14TORSIONAL
116P26768X-RAY DIFFRACTION7.14TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.55-1.570.3369900.3033170417943
1.57-1.590.33221700.3014323234026
1.59-1.610.32623200.2835637595710
1.61-1.630.31354550.28838854930915
1.63-1.650.29866740.2847122801295421
1.65-1.670.29658600.2785169181777829
1.67-1.690.283811950.2703225712376639
1.69-1.720.28615600.2635286323019249
1.72-1.750.277119990.2549371993919864
1.75-1.780.271624020.2535457854818778
1.78-1.810.256426350.2459511645379987
1.81-1.840.244827490.2318536795642892
1.84-1.870.238127880.2198555885837695
1.87-1.910.228529640.214571866015098
1.91-1.950.210630210.1965573126033398
1.95-20.212228700.1847575956046598
2-2.050.190228780.1738576466052498
2.05-2.10.183730180.1642576236064198
2.1-2.170.166929990.153576266062598
2.17-2.240.171331110.1489575806069199
2.24-2.320.157830680.1399577306079899
2.32-2.410.15930850.1426579266101199
2.41-2.520.152730980.1392577916088999
2.52-2.650.153129570.1402580726102999
2.65-2.820.161630080.1451581946120299
2.82-3.040.155329830.1458582166119999
3.04-3.340.152430770.1424582066128399
3.34-3.820.137730850.13045824761332100
3.82-4.820.120130080.11355850861516100
4.82-77.290.151230830.15015827561358100
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)
10.99440.4419-0.17130.7812-0.110.6630.0581-0.171-0.07550.0922-0.08330.00080.0452-0.0280.01960.087-0.02030.00250.12110.00490.093366.98350.579-64.669
20.18150.044-0.23730.1319-0.06850.8624-0.00670.0293-0.0017-0.0115-0.00770.02370.0397-0.06350.02560.0694-0.001-0.01110.06910.00850.090678.64959.802-104.886
31.3779-0.5651-0.29550.7951-0.36270.96760.0370.2039-0.0648-0.1012-0.03380.08790.05-0.09620.00650.1113-0.0048-0.0310.12560.04660.106277.73976.669-141.999
42.7374-0.54360.20841.80880.12440.8981-0.00670.12940.34850.0530.0598-0.0371-0.3895-0.0275-0.01130.28770.0422-0.03140.11120.06260.225376.108106.543-141.474
52.37110.05110.68131.0235-0.40771.14650.03550.25850.1645-0.0737-0.1177-0.0736-0.22670.040.06390.20490.0336-0.01220.19870.09120.17881.14495.161-152.215
60.7605-0.46740.43411.1105-0.56371.10130.02550.12190.0649-0.048-0.00140.1237-0.138-0.1809-0.00970.16080.0396-0.02480.19610.04970.139370.24491.382-146.667
71.99120.70380.13573.44230.14721.04860.0481-0.02670.20270.1635-0.03340.3258-0.265-0.2577-0.00910.21080.08160.00380.19960.04290.111664.24395.173-135.94
80.353-0.01850.27020.1675-0.13821.0573-0.00150.02490.0323-0.01120.01480.0551-0.0971-0.1290.00390.08530.0193-0.00030.08020.0120.111674.71577.766-104.272
90.12380.06360.3770.0843-0.14533.9723-0.00070.01290.06080.03140.00050.016-0.1961-0.08620.01140.08760.00360.00070.07450.01290.117889.55878.685-90.171
101.3629-0.1545-0.47950.84360.32372.71850.0177-0.01310.1854-0.00670.0043-0.0373-0.28490.1308-0.03290.1177-0.0139-0.01280.07560.03740.122692.97688.085-111.177
111.11580.59790.0631.08240.24450.82640.086-0.15660.1170.1396-0.10110.0468-0.1077-0.00490.01440.141-0.0508-0.0090.1380.0040.1168123.57286.321-63.191
120.78680.29640.07490.71620.17440.55080.0463-0.13820.06240.0923-0.044-0.0944-0.06840.1048-0.00030.1785-0.0681-0.02270.16920.02580.1279134.17187.708-65.16
130.20360.05860.15070.21140.05470.75240.00380.03820.0326-0.0014-0.0143-0.034-0.07720.10610.01980.0832-0.01720.00390.08990.0250.1008119.55875.864-104.217
140.9227-0.2275-0.20221.1137-0.01150.8972-0.00390.2112-0.1952-0.3218-0.0627-0.14970.20730.10130.02980.24240.04960.06370.1989-0.02610.1768124.9543.107-143.521
150.2649-0.0058-0.2070.18660.03780.633-0.00660.0009-0.0495-0.0291-0.0188-0.05250.07060.10440.02650.08410.0181-0.00090.09990.02230.1165119.98253.084-106.996
161.4901-0.4450.31130.827-0.16690.91-0.0605-0.2056-0.08880.27740.099-0.19730.25670.2231-0.00770.27810.0808-0.06410.19220.01880.208863.437-20.237-59.261
170.1719-0.02750.04810.423-0.01030.82620.00980.0088-0.0538-0.0164-0.0111-0.08780.16620.14530.01390.10340.02910.02180.109-0.00510.158155.507-16.038-96.624
180.68750.43040.31611.14250.19340.88720.0080.1468-0.0378-0.4378-0.04180.2962-0.0328-0.1280.04250.38170.0308-0.09470.2185-0.090.258424.357-17.877-139.755
190.3665-0.09710.19890.54890.2690.84490.06850.1339-0.1665-0.1852-0.10430.18530.1863-0.1491-0.0110.324-0.0206-0.02730.2122-0.10320.302226.78-33.358-130.902
200.17030.02690.1220.29230.20590.8838-0.0031-0.0008-0.0661-0.006-0.03780.05510.097-0.11470.06050.0778-0.02520.01490.0844-0.01350.1430.759-9.078-96.597
211.3511-0.5694-0.24780.98420.06550.863-0.0899-0.1691-0.0430.12670.0370.12830.036-0.06430.04490.0939-0.00520.01380.0973-0.01720.101822.18828.268-63.248
220.7122-0.2146-0.28740.30180.37361.8592-0.0891-0.35660.31180.25460.0555-0.0225-0.2839-0.06390.01710.28560.0567-0.02930.2652-0.11020.276116.31446.369-54.831
230.1668-0.0659-0.14170.29690.21950.64310.00360.00590.0588-0.0523-0.03260.0492-0.1317-0.04230.01790.09130.0014-0.02160.07720.00280.112229.81636.685-90.437
240.2986-0.0263-0.25440.27810.16221.4816-0.01430.0558-0.0135-0.0755-0.030.05650.0454-0.14680.06950.0974-0.0146-0.01710.0737-0.00760.108729.55913.662-109.812
250.96640.5345-0.26950.8689-0.10110.8233-0.05670.1776-0.0462-0.25450.0819-0.1517-0.05580.0895-0.02350.2679-0.0270.0670.17650.00630.14562.08128.434-140.27
260.03370.0308-0.13680.0342-0.1520.753-0.04180.30430.2656-0.35170.12050.0448-0.32380.0727-0.08560.5438-0.11620.06160.35960.10770.281866.52147.09-148.802
271.7457-0.1266-0.05110.60990.04070.6850.0471-0.01380.2367-0.03760.0218-0.1076-0.25250.11760.00310.318-0.06390.08550.21580.02460.192366.19344.348-132.124
280.19-0.0386-0.0790.248-0.06710.717-0.00180.03650.0242-0.0495-0.0185-0.0654-0.09510.06640.02370.0851-0.02810.00970.08630.01030.112552.27825.71-100.802
291.03380.4922-0.07480.6648-0.14470.40570.0826-0.1945-0.06770.1076-0.1088-0.01310.0518-0.02570.02740.1673-0.08580.01550.2185-0.02680.126559.82321.5152.52
300.13070.0173-0.20820.2408-0.06020.74430.00210.0430.00850.0003-0.0570.03940.1022-0.19570.05580.0971-0.03570.00980.1851-0.03370.10569.33532.49512.489
310.9421-0.40090.28740.9575-0.22190.70550.01830.11250.2003-0.1916-0.1344-0.0279-0.2029-0.16070.09740.22660.1125-0.0280.26130.01520.164468.05362.976-24.848
320.1711-0.02690.26930.4784-0.06760.5341-0.0579-0.01780.1875-0.2299-0.12030.2831-0.2865-0.4230.08420.35050.2194-0.12450.5116-0.08260.354451.21469.882-25.476
330.1936-0.04470.03310.1641-0.00140.56960.00020.03930.0255-0.0316-0.05150.0277-0.038-0.22950.04820.07940.01820.00310.1973-0.02210.125171.36952.66614.318
341.04790.59630.05961.14380.33220.73770.0363-0.1030.040.0466-0.0767-0.0533-0.0255-0.03240.0460.05520.0093-0.02040.09710.01950.1323116.61654.22849.515
355.023-0.56431.86531.0281-0.03131.51030.0161-0.33790.17320.1084-0.09060.1633-0.1113-0.23830.05760.10740.00280.00730.1417-0.02750.1766115.2763.81960.02
361.14020.44810.35220.78390.3210.8729-0.0082-0.08640.0420.03590.0056-0.0829-0.03140.05860.00440.0870.0057-0.01050.08980.02370.15124.92258.14353.673
371.2557-0.0422-0.08053.2510.05450.77210.0290.03610.1121-0.1486-0.0577-0.3084-0.09040.09190.03290.1128-0.0355-0.02150.12360.02990.1231130.5860.40742.66
380.25890.05110.39140.1780.00480.9560.0210.0634-0.0088-0.0054-0.0093-0.09450.01110.1396-0.00170.07120.02160.01820.11390.02160.152119.08545.36417.277
390.06410.06950.38550.40110.51262.2174-0.01830.02820.0184-0.1128-0.0101-0.0356-0.15750.00150.0370.08840.02840.0240.12530.02480.13499.52751.334-1.393
403.4833-0.51840.80693.9043-1.50723.3956-0.00770.0220.16330.02250.0390.1411-0.2365-0.2025-0.06010.06350.02680.01390.0857-0.02520.102297.32257.88622.299
410.757-0.4666-0.11711.1410.34621.06970.06150.1427-0.069-0.1594-0.07390.0220.1096-0.01420.00860.16770.04380.04930.17950.00420.1356109.70419.208-28.794
420.4508-0.169-0.31510.75970.26431.25560.01920.05620.0024-0.1146-0.0105-0.12890.15290.2044-0.02070.1930.06550.05330.1830.01740.1546117.95716.767-30.256
431.81360.7865-0.17562.9178-0.14181.11770.0578-0.1044-0.08740.0545-0.0076-0.28360.21610.2881-0.03980.23060.10.03710.2326-0.00610.1309124.01613.223-19.53
440.20160.0048-0.08350.18150.12320.82630.01030.0229-0.0303-0.0137-0.0145-0.06830.12090.05810.01150.0950.02620.01040.07990.0140.1224108.12928.55512.614
451.1332-0.3423-0.10361.87280.23591.0098-0.087-0.1398-0.10830.2425-0.02290.00140.0529-0.01490.11250.1109-0.00160.0120.07990.04740.16242.458-44.82852.051
461.0683-0.18240.11111.48340.2321.2448-0.01450.0075-0.01680.0319-0.0794-0.26050.03470.31670.06790.12590.01510.01930.2870.18850.47471.988-48.78949.235
470.89770.32970.05824.1428-1.47731.0775-0.0598-0.1811-0.00880.3121-0.1085-0.3046-0.17470.23160.12170.1947-0.0326-0.07110.22160.10590.334361.752-43.74561.087
481.0521-0.76950.34440.802-0.36230.722-0.0584-0.02290.00850.1124-0.0828-0.1888-0.04020.09250.13220.1342-0.00520.00250.10830.06270.224452.507-41.21248.397
490.139-0.0415-0.12070.0289-0.06880.997-0.0698-0.1551-0.19690.0911-0.1502-0.20890.3360.17480.05860.28880.03990.02450.22840.15810.412359.908-63.20959.794
502.57470.4054-0.39770.35960.0560.472-0.09420.1193-0.3527-0.0677-0.0862-0.23790.19880.12650.14020.18340.05010.06570.19320.10380.383759.16-59.34943.861
510.1876-0.0761-0.0130.2835-0.10040.5794-0.06920.044-0.1618-0.0375-0.0621-0.00170.247-0.05760.11440.1617-0.02520.05360.1019-0.03640.206441.573-49.4819.414
520.4558-0.19510.40910.4933-0.01982.7127-0.00460.094-0.0343-0.1008-0.0691-0.0013-0.06130.07570.07380.0871-0.00990.00350.0763-0.01920.125146.172-28.6666.587
530.28120.20580.18140.23240.03060.16710.05020.1191-0.0233-0.205-0.03650.28130.0778-0.09450.090.33290.068-0.25410.3652-0.37960.31849.348-42.902-24.276
540.3523-0.17620.05690.2293-0.24210.31430.1115-0.03850.0047-0.1752-0.00130.120.2561-0.0315-0.12630.3536-0.0414-0.08360.3799-0.2230.46978.147-59.589-24.787
550.1919-0.0854-0.05410.25040.14280.652-0.0620.1086-0.1385-0.0283-0.11390.11450.1165-0.21670.10830.1242-0.05550.02510.1847-0.11070.249323.566-40.84515.109
561.4078-0.2329-0.16571.81110.05791.2321-0.0288-0.1552-0.01550.35570.00160.008-0.06510.08290.04240.1358-0.00960.01470.0654-0.01330.090626.3980.58853.926
571.2932-0.46280.18372.05490.12951.4397-0.0221-0.0846-0.18120.20610.02180.4244-0.0182-0.39890.07260.13820.03820.06850.2271-0.02720.3339-3.115.12253.452
581.00940.04190.24963.04190.89191.6957-0.0945-0.1969-0.15290.43770.06550.21850.1019-0.22490.02150.27460.01520.11690.16670.02730.23477.743-1.06464.075
591.2681-0.5056-0.32920.88650.3670.9965-0.0601-0.16250.11460.26190.04520.0854-0.1648-0.06990.01720.22850.02120.03080.1173-0.02180.161312.579.51358.632
604.20360.30770.26831.29170.04480.7818-0.01140.05690.30770.0042-0.01910.2653-0.193-0.12610.04130.19160.04310.03170.1276-0.01080.12429.38315.88748.008
610.31650.0945-0.06160.47750.19021.280.07780.0670.063-0.0873-0.08050.0863-0.2424-0.09680.01950.16220.0528-0.02280.1075-0.00940.143826.07411.53524.678
620.1346-0.0455-0.09010.23670.1161.11860.06780.1718-0.0709-0.185-0.12640.1704-0.0632-0.21780.04180.17560.0735-0.09380.2206-0.06740.160821.482-9.7494.923
631.45320.1120.37431.27710.12151.29260.01680.0935-0.1899-0.0644-0.07750.25110.0935-0.29-0.03030.0887-0.0077-0.01630.1811-0.06870.201215.239-15.94925.356
640.61340.1694-0.02190.60090.0550.60340.04810.3470.0458-0.67690.1258-0.2052-0.51360.10450.04580.8262-0.01730.14510.31090.0170.113152.088.424-25.423
650.31510.0391-0.23720.56760.14910.8240.05070.07080.0326-0.1855-0.0208-0.0508-0.2340.0323-0.01050.15470.0056-0.00450.09530.00640.102844.9791.8411.572
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:330 )A1 - 330
2X-RAY DIFFRACTION2( CHAIN A AND RESID 331:618 )A331 - 618
3X-RAY DIFFRACTION3( CHAIN B AND RESID 1:69 )B1 - 69
4X-RAY DIFFRACTION4( CHAIN B AND RESID 70:100 )B70 - 100
5X-RAY DIFFRACTION5( CHAIN B AND RESID 101:150 )B101 - 150
6X-RAY DIFFRACTION6( CHAIN B AND RESID 151:280 )B151 - 280
7X-RAY DIFFRACTION7( CHAIN B AND RESID 281:330 )B281 - 330
8X-RAY DIFFRACTION8( CHAIN B AND RESID 331:520 )B331 - 520
9X-RAY DIFFRACTION9( CHAIN B AND RESID 521:563 )B521 - 563
10X-RAY DIFFRACTION10( CHAIN B AND RESID 564:618 )B564 - 618
11X-RAY DIFFRACTION11( CHAIN C AND RESID 1:150 )C1 - 150
12X-RAY DIFFRACTION12( CHAIN C AND RESID 151:330 )C151 - 330
13X-RAY DIFFRACTION13( CHAIN C AND RESID 331:618 )C331 - 618
14X-RAY DIFFRACTION14( CHAIN D AND RESID 2:280 )D2 - 280
15X-RAY DIFFRACTION15( CHAIN D AND RESID 281:618 )D281 - 618
16X-RAY DIFFRACTION16( CHAIN E AND RESID 2:280 )E2 - 280
17X-RAY DIFFRACTION17( CHAIN E AND RESID 281:618 )E281 - 618
18X-RAY DIFFRACTION18( CHAIN F AND RESID 1:205 )F1 - 205
19X-RAY DIFFRACTION19( CHAIN F AND RESID 206:396 )F206 - 396
20X-RAY DIFFRACTION20( CHAIN F AND RESID 397:618 )F397 - 618
21X-RAY DIFFRACTION21( CHAIN G AND RESID 1:205 )G1 - 205
22X-RAY DIFFRACTION22( CHAIN G AND RESID 206:280 )G206 - 280
23X-RAY DIFFRACTION23( CHAIN G AND RESID 281:491 )G281 - 491
24X-RAY DIFFRACTION24( CHAIN G AND RESID 492:618 )G492 - 618
25X-RAY DIFFRACTION25( CHAIN H AND RESID 2:205 )H2 - 205
26X-RAY DIFFRACTION26( CHAIN H AND RESID 206:280 )H206 - 280
27X-RAY DIFFRACTION27( CHAIN H AND RESID 281:330 )H281 - 330
28X-RAY DIFFRACTION28( CHAIN H AND RESID 331:618 )H331 - 618
29X-RAY DIFFRACTION29( CHAIN I AND RESID 1:330 )I1 - 330
30X-RAY DIFFRACTION30( CHAIN I AND RESID 331:618 )I331 - 618
31X-RAY DIFFRACTION31( CHAIN J AND RESID 1:205 )J1 - 205
32X-RAY DIFFRACTION32( CHAIN J AND RESID 206:330 )J206 - 330
33X-RAY DIFFRACTION33( CHAIN J AND RESID 331:618 )J331 - 618
34X-RAY DIFFRACTION34( CHAIN K AND RESID 2:100 )K2 - 100
35X-RAY DIFFRACTION35( CHAIN K AND RESID 101:150 )K101 - 150
36X-RAY DIFFRACTION36( CHAIN K AND RESID 151:280 )K151 - 280
37X-RAY DIFFRACTION37( CHAIN K AND RESID 281:330 )K281 - 330
38X-RAY DIFFRACTION38( CHAIN K AND RESID 331:491 )K331 - 491
39X-RAY DIFFRACTION39( CHAIN K AND RESID 492:587 )K492 - 587
40X-RAY DIFFRACTION40( CHAIN K AND RESID 588:618 )K588 - 618
41X-RAY DIFFRACTION41( CHAIN L AND RESID 2:150 )L2 - 150
42X-RAY DIFFRACTION42( CHAIN L AND RESID 151:280 )L151 - 280
43X-RAY DIFFRACTION43( CHAIN L AND RESID 281:330 )L281 - 330
44X-RAY DIFFRACTION44( CHAIN L AND RESID 331:618 )L331 - 618
45X-RAY DIFFRACTION45( CHAIN M AND RESID 2:69 )M2 - 69
46X-RAY DIFFRACTION46( CHAIN M AND RESID 70:100 )M70 - 100
47X-RAY DIFFRACTION47( CHAIN M AND RESID 101:150 )M101 - 150
48X-RAY DIFFRACTION48( CHAIN M AND RESID 151:205 )M151 - 205
49X-RAY DIFFRACTION49( CHAIN M AND RESID 206:280 )M206 - 280
50X-RAY DIFFRACTION50( CHAIN M AND RESID 281:330 )M281 - 330
51X-RAY DIFFRACTION51( CHAIN M AND RESID 331:491 )M331 - 491
52X-RAY DIFFRACTION52( CHAIN M AND RESID 492:618 )M492 - 618
53X-RAY DIFFRACTION53( CHAIN N AND RESID 2:205 )N2 - 205
54X-RAY DIFFRACTION54( CHAIN N AND RESID 206:330 )N206 - 330
55X-RAY DIFFRACTION55( CHAIN N AND RESID 331:618 )N331 - 618
56X-RAY DIFFRACTION56( CHAIN O AND RESID 2:69 )O2 - 69
57X-RAY DIFFRACTION57( CHAIN O AND RESID 70:100 )O70 - 100
58X-RAY DIFFRACTION58( CHAIN O AND RESID 101:150 )O101 - 150
59X-RAY DIFFRACTION59( CHAIN O AND RESID 151:280 )O151 - 280
60X-RAY DIFFRACTION60( CHAIN O AND RESID 281:330 )O281 - 330
61X-RAY DIFFRACTION61( CHAIN O AND RESID 331:452 )O331 - 452
62X-RAY DIFFRACTION62( CHAIN O AND RESID 453:587 )O453 - 587
63X-RAY DIFFRACTION63( CHAIN O AND RESID 588:618 )O588 - 618
64X-RAY DIFFRACTION64( CHAIN P AND RESID 2:280 )P2 - 280
65X-RAY DIFFRACTION65( CHAIN P AND RESID 281:618 )P281 - 618

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