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- PDB-3oaa: Structure of the E.coli F1-ATP synthase inhibited by subunit Epsilon -

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Basic information

Entry
Database: PDB / ID: 3oaa
TitleStructure of the E.coli F1-ATP synthase inhibited by subunit Epsilon
Components(ATP synthase ...) x 4
KeywordsHydrolase/Transport protein / Rossmann Fold / Hydrolase / Synthase / Hydrolase-Transport protein complex
Function / homology
Function and homology information


proton-transporting ATP synthase complex / proton motive force-driven plasma membrane ATP synthesis / proton motive force-driven ATP synthesis / proton-transporting ATP synthase complex, catalytic core F(1) / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / ADP binding / ATP hydrolysis activity / ATP binding ...proton-transporting ATP synthase complex / proton motive force-driven plasma membrane ATP synthesis / proton motive force-driven ATP synthesis / proton-transporting ATP synthase complex, catalytic core F(1) / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / ADP binding / ATP hydrolysis activity / ATP binding / membrane / plasma membrane
Similarity search - Function
ATP synthase delta/epsilon subunit, C-terminal domain / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / ATP synthase delta/epsilon subunit, C-terminal domain / ATP synthase, Delta/Epsilon chain, long alpha-helix domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 / Elongation Factor Tu (Ef-tu); domain 3 - #20 ...ATP synthase delta/epsilon subunit, C-terminal domain / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / ATP synthase delta/epsilon subunit, C-terminal domain / ATP synthase, Delta/Epsilon chain, long alpha-helix domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 / Elongation Factor Tu (Ef-tu); domain 3 - #20 / Pyruvate Kinase; Chain: A, domain 1 / Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3 / Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3 / ATP synthase, gamma subunit, helix hairpin domain / ATP synthase delta/epsilon subunit, C-terminal domain superfamily / ATP synthase, F1 complex, delta/epsilon subunit / ATP synthase, F1 complex, delta/epsilon subunit, N-terminal / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, Delta/Epsilon chain, beta-sandwich domain / ATP synthase, F1 complex, gamma subunit conserved site / ATP synthase gamma subunit signature. / ATP synthase, F1 complex, beta subunit / ATP synthase, alpha subunit, C-terminal domain superfamily / ATP synthase, F1 complex, gamma subunit / ATP synthase, F1 complex, gamma subunit superfamily / ATP synthase / ATP synthase, alpha subunit, C-terminal / ATP synthase, F1 complex, alpha subunit / ATP synthase, F1 complex, alpha subunit nucleotide-binding domain / ATP synthase alpha/beta chain, C terminal domain / ATPase, F1/V1 complex, beta/alpha subunit, C-terminal / ATP synthase subunit alpha, N-terminal domain-like superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain / ATP synthase alpha/beta family, beta-barrel domain / ATPase, alpha/beta subunit, nucleotide-binding domain, active site / ATP synthase alpha and beta subunits signature. / Elongation Factor Tu (Ef-tu); domain 3 / ATPase, F1/V1/A1 complex, alpha/beta subunit, nucleotide-binding domain / ATP synthase alpha/beta family, nucleotide-binding domain / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / Helix Hairpins / Thrombin, subunit H / P-loop containing nucleotide triphosphate hydrolases / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Up-down Bundle / Beta Barrel / Sandwich / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
ADENOSINE-5'-DIPHOSPHATE / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / : / : / : / : / ATP synthase epsilon chain / ATP synthase gamma chain / ATP synthase subunit alpha / ATP synthase subunit beta
Similarity search - Component
Biological speciesEscherichia coli DH1 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.26 Å
AuthorsCingolani, G. / Duncan, T.M.
CitationJournal: To be Published
Title: Structural basis for inhibition of bacterial ATP synthase by subunit epsilon of the rotor stalk
Authors: Cingolani, G. / Duncan, T.M.
History
DepositionAug 5, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 25, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Sep 6, 2023Group: 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_ref_seq_dif / struct_site
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_label_asym_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.pdbx_dist_value / _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_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ATP synthase subunit alpha
B: ATP synthase subunit alpha
C: ATP synthase subunit alpha
D: ATP synthase subunit beta
E: ATP synthase subunit beta
F: ATP synthase subunit beta
G: ATP synthase gamma chain
H: ATP synthase epsilon chain
I: ATP synthase subunit alpha
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit beta
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase gamma chain
P: ATP synthase epsilon chain
Q: ATP synthase subunit alpha
R: ATP synthase subunit alpha
S: ATP synthase subunit alpha
T: ATP synthase subunit beta
U: ATP synthase subunit beta
V: ATP synthase subunit beta
W: ATP synthase gamma chain
X: ATP synthase epsilon chain
Y: ATP synthase subunit alpha
Z: ATP synthase subunit alpha
a: ATP synthase subunit alpha
b: ATP synthase subunit beta
c: ATP synthase subunit beta
d: ATP synthase subunit beta
e: ATP synthase gamma chain
f: ATP synthase epsilon chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,461,92081
Polymers1,452,11532
Non-polymers9,80549
Water1,15364
1
A: ATP synthase subunit alpha
B: ATP synthase subunit alpha
C: ATP synthase subunit alpha
D: ATP synthase subunit beta
E: ATP synthase subunit beta
F: ATP synthase subunit beta
G: ATP synthase gamma chain
H: ATP synthase epsilon chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)365,55221
Polymers363,0298
Non-polymers2,52313
Water1448
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
I: ATP synthase subunit alpha
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit beta
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase gamma chain
P: ATP synthase epsilon chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)365,55221
Polymers363,0298
Non-polymers2,52313
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
Q: ATP synthase subunit alpha
R: ATP synthase subunit alpha
S: ATP synthase subunit alpha
T: ATP synthase subunit beta
U: ATP synthase subunit beta
V: ATP synthase subunit beta
W: ATP synthase gamma chain
X: ATP synthase epsilon chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)365,45620
Polymers363,0298
Non-polymers2,42712
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
Y: ATP synthase subunit alpha
Z: ATP synthase subunit alpha
a: ATP synthase subunit alpha
b: ATP synthase subunit beta
c: ATP synthase subunit beta
d: ATP synthase subunit beta
e: ATP synthase gamma chain
f: ATP synthase epsilon chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)365,36019
Polymers363,0298
Non-polymers2,33111
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)435.970, 183.000, 225.390
Angle α, β, γ (deg.)90.00, 108.99, 90.00
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
12
22
32
42
13
23
33
43
14
24
34
44
15
25
35
45
16
26
36
46
17
27
37
47
18
28
38
48
19
29
39
49
110
210
310
410
111
211
311
411
112
212
312
412

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111chain A resid 24:511
211chain I and resid 24:511
311chain Q and resid 24:511
411chain Y and resid 24:511
112chain A resid 600:601
212chain I and resid 600:601
312chain Q and resid 600:601
412chain Y and resid 600:601
113chain B resid 26:511
213chain J and resid 26:511
313chain R and resid 26:511
413chain Z and resid 26:511
114chain B resid 600:601
214chain J and resid 600:601
314chain R and resid 600:601
414chain Z and resid 600:601
115chain C resid 25:511
215chain K and resid 25:511
315chain S and resid 25:511
415chain a and resid 25:511
116chain C resid 600:601
216chain K and resid 600:601
316chain S and resid 600:601
416chain a and resid 600:601
117chain D resid 2:259
217chain L and resid 2:259
317chain T and resid 2:259
417chain b and resid 2:259
118chain D resid 600:601
218chain L and resid 600:601
318chain T and resid 600:601
418chain b and resid 600:601
119chain E resid 2:259
219chain M and resid 2:259
319chain U and resid 2:259
419chain c and resid 2:259
1110chain F resid 2:259
2110chain N and resid 2:259
3110chain V and resid 2:259
4110chain d and resid 2:259
1111chain G resid 1:284
2111chain O and resid 1:284
3111chain W and resid 1:284
4111chain e and resid 1:284
1112chain H resid 1:138
2112chain P and resid 1:138
3112chain X and resid 1:138
4112chain f and resid 1:138

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12

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Components

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ATP synthase ... , 4 types, 32 molecules ABCIJKQRSYZaDEFLMNTUVbcdGOWeHPXf

#1: Protein
ATP synthase subunit alpha


Mass: 55281.871 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli DH1 (bacteria) / Strain: ATCC 33849 / DSM 4235 / NCIB 12045 / K12 / DH1 / Gene: atpA, EcDH1_4233 / Production host: Escherichia coli (E. coli)
References: UniProt: C9QXA2, UniProt: P0ABB0*PLUS, H+-transporting two-sector ATPase
#2: Protein
ATP synthase subunit beta


Mass: 50246.934 Da / Num. of mol.: 12 / Mutation: K82E
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli DH1 (bacteria) / Strain: ATCC 33849 / DSM 4235 / NCIB 12045 / K12 / DH1 / Gene: atpD, EcDH1_4235 / Production host: Escherichia coli (E. coli)
References: UniProt: C9QXA4, UniProt: P0ABB4*PLUS, H+-transporting two-sector ATPase
#3: Protein
ATP synthase gamma chain


Mass: 31486.246 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli DH1 (bacteria) / Strain: ATCC 33849 / DSM 4235 / NCIB 12045 / K12 / DH1 / Gene: EcDH1_4234 / Production host: Escherichia coli (E. coli) / References: UniProt: C9QXA3, UniProt: P0ABA6*PLUS
#4: Protein
ATP synthase epsilon chain


Mass: 14956.047 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli DH1 (bacteria) / Strain: ATCC 33849 / DSM 4235 / NCIB 12045 / K12 / DH1 / Gene: atpC, EcDH1_4236 / Production host: Escherichia coli (E. coli) / References: UniProt: C9QXA5, UniProt: P0A6E6*PLUS

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Non-polymers , 5 types, 113 molecules

#5: Chemical
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


Mass: 506.196 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: Mg
#7: Chemical
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Comment: ADP, energy-carrying molecule*YM
#8: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 17 / Source method: obtained synthetically / Formula: SO4
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 64 / Source method: isolated from a natural source / Formula: H2O

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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: 2.93 Å3/Da / Density % sol: 57.98 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 0.1 M MOPS-NaOH, 75-150 mM MgSO4, 7-9% PEG8000, 5 mM beta-mercaptoethanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

Diffraction
IDMean temperature (K)Crystal-ID
11001
21
31
Diffraction source
SourceSiteBeamlineID
SYNCHROTRONNSLS X251
SYNCHROTRONNSLS X6A2
SYNCHROTRONCHESS F13
Detector
TypeIDDetectorDate
ADSC QUANTUM 315r1CCDOct 10, 2008
2
3
Radiation
IDProtocolMonochromatic (M) / Laue (L)Scattering typeWavelength-ID
1SINGLE WAVELENGTHMx-ray1
2x-ray1
3x-ray1
Radiation wavelengthRelative weight: 1
ReflectionResolution: 3.26→15 Å / Num. all: 252390 / Num. obs: 252390 / % possible obs: 98.5 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 2.5 % / Biso Wilson estimate: 79.38 Å2 / Rmerge(I) obs: 0.092 / Rsym value: 0.092 / Net I/σ(I): 15.44
Reflection shellResolution: 3.26→3.36 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.626 / Mean I/σ(I) obs: 1.5 / Rsym value: 0.626 / % possible all: 91.7

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Processing

Software
NameVersionClassificationNB
PHENIX1.6.3_473refinement
PDB_EXTRACT3.1data extraction
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 2CK3

2ck3


Resolution: 3.26→15 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.47 / σ(F): 1.33 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.265 2000 79 %
Rwork0.243 --
obs0.243 252275 98 %
Solvent computationShrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 37.47 Å2 / ksol: 0.26 e/Å3
Displacement parametersBiso mean: 118.36 Å2
Baniso -1Baniso -2Baniso -3
1--4.2964 Å2-0 Å21.4846 Å2
2---5.4824 Å2-0 Å2
3----2.6016 Å2
Refinement stepCycle: LAST / Resolution: 3.26→15 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms98928 0 581 64 99573
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004101060
X-RAY DIFFRACTIONf_angle_d0.821136804
X-RAY DIFFRACTIONf_dihedral_angle_d22.88864092
X-RAY DIFFRACTIONf_chiral_restr0.05815664
X-RAY DIFFRACTIONf_plane_restr0.00317872
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A3667X-RAY DIFFRACTIONPOSITIONAL
12I3667X-RAY DIFFRACTIONPOSITIONAL
13Q3667X-RAY DIFFRACTIONPOSITIONAL
14Y3667X-RAY DIFFRACTIONPOSITIONAL
21A32X-RAY DIFFRACTIONPOSITIONAL
22I32X-RAY DIFFRACTIONPOSITIONAL0.006
23Q32X-RAY DIFFRACTIONPOSITIONAL0.008
24Y32X-RAY DIFFRACTIONPOSITIONAL0.007
31B3627X-RAY DIFFRACTIONPOSITIONAL
32J3627X-RAY DIFFRACTIONPOSITIONAL
33R3627X-RAY DIFFRACTIONPOSITIONAL
34Z3627X-RAY DIFFRACTIONPOSITIONAL
41B32X-RAY DIFFRACTIONPOSITIONAL
42J32X-RAY DIFFRACTIONPOSITIONAL0.006
43R32X-RAY DIFFRACTIONPOSITIONAL0.007
44Z32X-RAY DIFFRACTIONPOSITIONAL0.006
51C3646X-RAY DIFFRACTIONPOSITIONAL
52K3646X-RAY DIFFRACTIONPOSITIONAL
53S3646X-RAY DIFFRACTIONPOSITIONAL
54A3646X-RAY DIFFRACTIONPOSITIONAL
61C32X-RAY DIFFRACTIONPOSITIONAL
62K32X-RAY DIFFRACTIONPOSITIONAL0.006
63S32X-RAY DIFFRACTIONPOSITIONAL0.008
64A32X-RAY DIFFRACTIONPOSITIONAL0.008
71D1970X-RAY DIFFRACTIONPOSITIONAL
72L1970X-RAY DIFFRACTIONPOSITIONAL
73T1970X-RAY DIFFRACTIONPOSITIONAL
74B1970X-RAY DIFFRACTIONPOSITIONAL
81D28X-RAY DIFFRACTIONPOSITIONAL
82L28X-RAY DIFFRACTIONPOSITIONAL0.008
83T28X-RAY DIFFRACTIONPOSITIONAL0.008
84B28X-RAY DIFFRACTIONPOSITIONAL0.006
91E1970X-RAY DIFFRACTIONPOSITIONAL
92M1970X-RAY DIFFRACTIONPOSITIONAL
93U1970X-RAY DIFFRACTIONPOSITIONAL
94C1970X-RAY DIFFRACTIONPOSITIONAL
101F1970X-RAY DIFFRACTIONPOSITIONAL
102N1970X-RAY DIFFRACTIONPOSITIONAL
103V1970X-RAY DIFFRACTIONPOSITIONAL
104D1970X-RAY DIFFRACTIONPOSITIONAL
111G2182X-RAY DIFFRACTIONPOSITIONAL
112O2182X-RAY DIFFRACTIONPOSITIONAL0.001
113W2182X-RAY DIFFRACTIONPOSITIONAL0.001
114E2182X-RAY DIFFRACTIONPOSITIONAL0.001
121H1047X-RAY DIFFRACTIONPOSITIONAL
122P1047X-RAY DIFFRACTIONPOSITIONAL0.001
123X1047X-RAY DIFFRACTIONPOSITIONAL0.001
124F1047X-RAY DIFFRACTIONPOSITIONAL0.001
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.26-3.34140.40511200.385515013X-RAY DIFFRACTION83
3.3414-3.43070.34021430.363717989X-RAY DIFFRACTION99
3.4307-3.53030.37631450.34118097X-RAY DIFFRACTION99
3.5303-3.64270.32631450.324718091X-RAY DIFFRACTION100
3.6427-3.77090.32461440.306918063X-RAY DIFFRACTION100
3.7709-3.91930.31171440.282618112X-RAY DIFFRACTION100
3.9193-4.09420.30591460.260918158X-RAY DIFFRACTION100
4.0942-4.30530.2721450.235918103X-RAY DIFFRACTION99
4.3053-4.56780.25541450.206118124X-RAY DIFFRACTION100
4.5678-4.9090.22271440.196818135X-RAY DIFFRACTION99
4.909-5.38220.26121450.222318230X-RAY DIFFRACTION100
5.3822-6.11440.25971460.239718127X-RAY DIFFRACTION99
6.1144-7.53720.26931440.223618093X-RAY DIFFRACTION99
7.5372-14.99990.15771440.168317940X-RAY DIFFRACTION97
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)
10.4592-0.2173-0.01480.61990.22070.62210.2086-0.1475-0.6333-0.0541-0.33120.20330.2222-0.2756-0.00020.8514-0.1656-0.12080.3387-0.18711.1253-85.2629-60.358521.919
22.17290.5226-0.07994.07590.26092.50220.4007-0.5845-0.04260.637-0.29290.31790.11830.018100.3639-0.20530.02720.347-0.02330.4873-71.2239-38.318136.2691
30.72990.0627-0.48061.28420.71090.94160.2118-0.55160.02720.6413-0.3511-0.4954-0.28070.5897-0.00011.0004-0.4419-0.05020.9048-0.06910.4972-51.6032-17.406547.9917
40.02510.02680.01750.03050.010.0538-0.2241-0.00130.15220.4274-0.1967-0.382-0.06860.33330.00110.613-0.1199-0.25181.0782-0.25220.7684-54.4512-36.499732.1082
50.1853-0.0119-0.08720.1583-0.03410.53180.0070.1298-0.1527-0.43820.22181.24140.3664-0.19530.00010.5595-0.2988-0.5610.606-0.08781.7646-109.8609-35.8632-2.2778
62.45840.5383-0.6653.0307-0.22152.04330.35220.51860.7446-0.79910.04321.3073-0.6643-0.52160.0356-0.1232-0.4372-0.69390.0497-0.12071.3018-97.8769-9.333-7.2418
70.1614-0.1277-0.11870.60610.01721.12380.0050.15760.6464-0.60030.1612-0.2192-0.81990.697-01.2174-0.1991-0.27540.730.15151.5074-85.275818.9967-7.9716
80.0237-0.0021-0.00660.00970.01720.0320.2613-0.21470.15130.30050.17750.1095-0.3813-0.05660.00191.1635-0.0121-0.27250.4451-0.07962.17-91.6285-0.91796.6411
90.3395-0.27320.1850.2314-0.21630.35870.00280.7242-0.8046-0.55820.05520.39430.30380.262701.1914-0.2029-0.29340.6624-0.41141.0501-79.2923-58.4176-20.3854
102.00130.75660.23431.79180.61311.4326-0.24760.4728-0.6047-0.84350.3361-0.21190.41880.3829-0.00021.0307-0.06780.13210.4633-0.45270.628-53.8688-42.8962-17.2502
111.16570.39930.62530.5774-0.25530.8307-0.10690.5521-0.1345-0.7801-0.034-0.4764-0.03110.7722-0.00720.5469-0.07930.33110.726-0.27530.7405-30.6419-22.1721-12.3245
120.0243-0.02-0.02350.01980.01170.0457-0.0163-0.0524-0.3579-0.03070.19030.7318-0.27080.1578-0.00460.9136-0.12760.41320.8508-0.27760.5801-54.7301-25.9359-19.9032
130.53610.01570.4190.4511-0.08370.4244-0.2449-0.1728-0.5472-0.36010.3460.04390.56280.2989-0.00131.1366-0.1626-0.07930.4-0.29381.1842-72.0015-67.24130.9493
142.77911.20.15442.09490.18331.01590.0954-0.1024-1.0447-0.0678-0.0578-0.45440.7910.20390.0050.52940.1903-00.2376-0.14350.8337-49.5236-51.818412.702
150.42820.36570.32160.62720.7250.8382-0.2022-0.176-0.51560.0519-0.0467-0.64670.39220.3747-0.00030.32330.137-0.02070.5849-0.0760.9318-28.6178-30.474318.5542
160.31160.1293-0.0080.054-0.00080.47030.02960.30150.109-0.08980.2472-0.3669-0.39920.1264-0.00160.44970.3039-0.06080.4856-0.17241.1612-40.505-41.85552.6496
171.0787-0.6230.21180.931-0.41270.6710.1887-0.54610.2010.3174-0.23241.13810.2908-0.45690.01330.6037-0.3699-0.06820.4027-0.14391.4108-103.2194-44.195821.2552
182.0022-0.0559-0.66892.29781.06442.07840.1946-0.28170.29550.3585-0.17060.91060.0404-0.07070.01860.1167-0.24330.19050.4261-0.31071.3219-94.2707-16.462526.8278
190.7835-0.36350.05890.90440.22371.3090.263-0.20390.0895-0.35660.1466-0.0886-0.67840.443600.6384-0.39060.42820.6199-0.41661.6281-81.208910.790530.8105
200.40880.0368-0.34710.4865-0.33120.4862-0.64060.94250.2132-1.14520.58260.68750.2759-0.0377-0.00031.09-0.4759-0.60960.7667-0.23271.2985-99.1143-41.5466-23.0536
212.05050.8666-0.2921.53460.1360.8274-0.31250.84910.0487-1.31880.40310.50570.1317-0.10370.10331.0607-0.3397-0.58450.4285-0.13760.6531-78.2229-21.7228-27.2999
221.03770.2198-0.22151.4037-0.54691.09610.00520.37630.1032-1.09190.18620.2644-0.23170.13630.00570.78-0.2551-0.08320.4752-0.24160.3939-57.7411-1.1205-17.703
232.27380.7619-0.49321.0701-0.54740.67860.6687-0.1765-0.49680.1028-0.12660.2880.0924-0.05880.9982-0.85890.08910.97030.2032-0.4401-0.9813-40.142613.023210.338
241.3760.6324-0.4791.7326-0.32250.9850.1964-0.2549-0.16740.2209-0.2591-0.1860.03450.46360.05050.1742-0.17810.06850.5824-0.07290.1783-27.045115.265623.8301
250.01650.08290.07660.37310.35750.34010.26960.67170.7952-0.3242-0.0799-0.219-0.5295-0.3239-01.08990.4450.42420.85710.51031.4713-52.915198.683-68.392
262.42670.1031-0.08232.91210.01541.30270.21410.56630.4749-0.7736-0.2286-0.18190.05340.29530.00010.94340.3690.3440.86510.34650.7329-33.923275.9772-71.9352
270.1255-0.05110.25690.75570.43910.93770.20020.05540.2341-0.227-0.1945-0.67380.11050.9375-0.00011.150.43990.42991.21430.15030.8327-11.856154.3114-70.1122
280.3208-0.1194-0.05020.05610.02210.00940.28240.0233-0.15060.2010.1623-0.23930.27520.15040.0041.20450.22840.17251.1292-0.13741.267-22.702973.8251-58.8859
290.49250.0397-0.12990.42190.08170.38130.39440.50860.2973-0.4933-0.09430.4703-0.1824-0.226-00.80850.5714-0.16750.91470.29010.7894-87.519775.4226-62.756
302.6868-0.1732-0.03662.7997-0.44322.35110.32620.4801-0.358-0.5122-0.25520.74520.1967-0.436-0.06650.22030.341-0.32470.57-0.15430.5231-81.573448.6405-51.8258
310.50980.0573-0.5410.8158-0.15411.2091-0.3937-0.3137-1.07280.66230.0489-0.1220.94380.4785-0.00010.96070.20160.00220.8325-0.09161.4557-72.743819.9585-43.9981
320.0192-0.00230.01130.00360.00270.01170.30660.0006-0.1405-0.16150.1524-0.02530.1312-0.04980.00111.27820.3253-0.04521.021-0.17340.925-68.76239.7633-59.5515
330.52740.1505-0.03540.30160.14580.18390.2525-0.05571.22350.07530.04420.2156-0.6673-0.13070.00010.78650.40770.15730.5359-0.14211.4332-72.325497.4218-30.2573
342.9087-1.33990.56192.003-0.24231.8128-0.0735-0.49480.9660.43890.2420.0253-0.56050.1247-0.01410.48420.12730.02860.3479-0.42110.7587-50.339881.1511-18.0512
352.05280.0911-0.69541.74840.02630.85950.0939-0.96140.24560.8015-0.0547-0.43090.03070.5241-0.055-0.05090.176-0.30460.372-0.4765-0.0908-29.280759.7045-8.5748
360.0735-0.0043-0.03970.0132-0.01410.1699-0.48720.45990.1744-0.3090.1280.50950.2423-0.0695-0.0080.52010.0808-0.21380.4589-0.47820.3803-53.128664.2817-16.4054
370.4980.2567-0.07120.2768-0.09760.04290.16510.21731.0721-0.1178-0.0155-0.1776-0.96250.00590.00011.10250.23390.24590.58730.07921.6252-53.8709105.6067-43.469
381.8208-0.84740.83261.8551-0.1251.66340.21970.18691.2739-0.0036-0.068-0.52-0.67310.4046-00.7241-0.02610.22850.4456-0.09861.3841-29.26789.3484-40.0576
390.8229-0.6122-0.5340.84750.09170.76550.1281-0.04650.86240.1743-0.1378-0.8381-0.55770.6804-0.00930.4692-0.05710.04630.7577-0.1961.2134-9.545267.3635-32.6774
400.0071-0.00990.01760.0169-0.02170.0548-0.133-0.3397-0.19530.267-0.1948-0.1610.05740.1808-0.00320.5407-0.1361-0.08060.8232-0.40811.3264-28.004679.3431-26.594
410.29780.15790.30810.41650.12740.3180.51991.00180.3025-1.1594-0.31880.43880.1020.08970.00081.28180.730.13931.14160.54780.9654-68.458483.1445-78.1077
421.4746-1.13950.26262.74921.0191.64570.36681.03770.2113-0.8192-0.1760.26910.0672-0.09110.00040.91370.5101-0.17171.15510.01750.2216-58.858355.0731-77.6622
430.89190.0719-0.4811.09090.26080.7413-0.07630.4124-0.5439-0.02030.29140.01620.363-0.061-0.00021.19190.4419-0.29811.0187-0.33630.4851-46.780527.3975-73.5229
440.78850.40310.28711.694-0.01070.6290.0228-0.00980.13140.27360.33121.2292-0.0959-0.3861-0.03240.57720.4940.02120.68430.19410.8754-90.556881.1504-39.5157
452.4355-1.48380.34632.6109-0.57230.9213-0.0453-0.32570.10330.20310.25150.4297-0.1786-0.3190.11330.22020.2384-0.00170.3848-0.07240.4925-76.644960.8505-23.9784
461.717-0.6113-0.24282.3711-0.72541.3841-0.1287-0.5474-0.38040.1440.0850.31670.2446-0.05920.03040.18520.2670.02830.4535-0.13240.3259-55.10839.5558-19.9803
471.0086-0.53640.36281.4322-0.90771.73550.13780.16910.0215-0.3495-0.2594-0.17870.28580.1404-0.16180.16290.13-0.00590.4488-0.13790.0731-25.342424.4145-32.6433
480.5496-0.05260.31372.0799-0.631.3098-0.0328-0.13210.022-0.2443-0.0859-0.33730.1350.4275-0.00070.16830.17460.10260.5956-0.03840.2752-6.811621.749-35.3912
490.6831-0.5298-0.1260.68510.12680.34310.0932-0.5780.66250.09520.2274-0.3951-0.65870.78450.00541.3519-0.1925-0.49390.7655-0.4140.5939-29.578679.129383.774
502.32390.8550.55782.5270.70093.24-0.0748-0.1976-0.28710.44080.1333-0.3152-0.10910.3865-0.11470.70860.0786-0.23180.4572-0.09150.0625-38.892651.441277.8225
510.76170.2499-0.17641.29780.62540.73230.191-0.3328-1.14581.0655-0.21580.40630.7238-0.17440.00010.99760.1208-0.16050.59820.04450.992-53.143724.014775.7299
520.03330.03640.00650.2703-0.05260.01870.1048-0.1187-0.31890.21410.03320.17510.5149-0.3262-0.00111.4058-0.0052-0.14060.69430.05750.8749-53.472246.833386.0719
530.7322-0.1877-0.16540.1853-0.04390.1228-0.0620.19250.9533-0.35880.32320.0011-0.60930.63880.01481.2707-0.5003-0.28640.5537-0.00530.6634-38.882495.321845.789
542.9411-0.0002-0.11741.3458-0.19921.6914-0.2090.80230.3439-0.33970.0168-0.1082-0.7999-0.05890.00431.3171-0.1072-0.3120.2603-0.0180.0785-60.681180.693232.2639
551.0679-0.42280.25051.16150.15640.5757-0.0057-0.0583-0.3759-0.0215-0.13221.2969-0.1807-0.74550.00281.27140.1585-0.54781.0845-0.16590.8466-80.931161.698718.442
560.0120.0061-0.01270.005-0.00630.0139-0.0460.0938-0.0979-0.19670.1127-0.26270.1022-0.2228-0.00151.75180.0684-0.47291.1704-0.08960.5937-59.376963.370231.9728
570.2136-0.0855-0.15590.2908-0.20920.39070.0492-0.41010.71180.42010.1348-0.0823-0.35320.38810.00011.81460.1885-0.47880.3918-0.40610.9965-61.3245107.773179.1529
581.19150.1834-0.34981.1636-0.63320.6743-0.2299-0.45320.29970.415-0.32770.6951-0.4712-0.50180.0251.36340.3837-0.25630.8277-0.76530.7758-82.485287.05783.6427
590.4410.2923-0.20490.478-0.16870.0928-0.2191-0.1664-0.05610.314-0.21670.535-0.1985-0.9208-0.00050.92930.16810.36921.1646-0.6281.0144-103.170263.286283.0787
600.0552-0.0373-0.02060.02530.01170.0501-0.08560.0166-0.2009-0.0653-0.0940.2021-0.07290.2542-0.0020.56240.2110.01031.1936-0.44420.5736-90.455880.93269.7038
610.8669-0.29480.04440.8614-0.33590.3133-0.0763-1.30460.5302-0.12190.25980.3177-0.89040.64390.00861.6531-0.0034-0.47540.8142-0.46790.6058-49.045493.211793.7752
621.25470.502-0.16371.40250.06681.8523-0.219-0.68450.26510.6975-0.30480.276-0.0676-0.1709-0.21851.54580.178-0.02420.8961-0.37440.1935-62.736767.203697.9302
630.1441-0.0486-0.08830.5605-0.21770.1937-0.304-0.59940.05310.60450.02170.41250.2669-0.498201.5512-0.08310.50251.3841-0.29460.699-81.480343.340295.6138
640.0096-0.00190.00150.0015-0.00140.00090.2357-0.0015-0.0027-0.01540.13460.30770.0992-0.24360.00161.79620.05740.03480.881-0.2230.5057-79.07666.042494.2986
650.43010.0848-0.12590.9502-0.68911.0984-0.6608-0.17990.4925-0.71870.4319-1.2002-0.33080.6298-0.08591.3672-0.4647-0.2640.7658-0.33280.8387-24.742878.883460.0985
661.8508-1.4956-1.07232.8231.00892.3228-0.27580.27840.0406-0.25340.2761-0.3351-0.66440.4838-0.00090.7241-0.399-0.01840.4492-0.15270.1718-38.283756.894345.5049
670.8544-0.65920.54071.42660.35641.06180.0721-0.0627-0.7667-0.5405-0.31431.5603-0.1024-0.3793-0.00010.8337-0.349-0.05820.8709-0.39731.1593-55.364434.628833.6093
680.5251-0.04090.09290.26730.02970.0383-0.23170.3331.3698-0.5090.08040.3847-1.41460.2987-0.00032.03380.0184-0.39180.3891-0.11910.9972-56.8461109.47953.5354
691.39310.1716-0.29871.7477-0.27120.516-0.23150.23750.8212-0.3691-0.04310.6021-0.803-0.58350.02441.4350.3546-0.55170.3399-0.34180.6471-81.428994.140250.7626
700.5681-0.2548-0.02550.36210.0310.3583-0.03920.2553-0.0523-0.1188-0.2520.8493-0.0979-0.5682-0.00020.9980.2716-0.2750.8566-0.51071.155-97.35268.088349.3562
710.89960.3815-0.39692.18850.04690.6964-0.35390.0899-0.0689-0.3073-0.28011.155-0.1041-0.6756-00.4688-0.03590.07620.7765-0.61880.9879-97.253332.839154.1781
722.1510.19410.03440.60811.06831.9279-0.2024-0.1821-0.48971.0702-0.32230.90130.6904-0.89050.00020.553-0.29910.40280.8348-0.45820.8772-98.016115.935962.2378
730.39960.39090.05970.62810.2560.25210.18540.3375-0.3973-0.0007-0.1343-0.4820.35020.3408-0.0020.60850.42150.51311.112-0.87721.659228.1074-38.9622-87.0962
741.5042-0.37171.2022.18890.1272.461-0.2260.7258-0.366-0.46780.1717-0.358-0.28480.6807-0.04650.3817-0.18710.58641.2989-0.77430.986816.0777-11.6891-86.5842
750.4448-0.40920.12920.77710.13320.181-0.50290.52580.7966-0.6996-0.1819-0.1111-0.44060.1662-0.00051.3604-0.12510.04951.198-0.21781.27382.469815.5803-92.1422
760.00550.00410.00250.01180.00030.00130.09770.1983-0.0037-0.04740.05540.0282-0.0382-0.09560.00021.3379-0.70820.93771.6747-1.06411.88689.3126-6.5264-101.7069
770.0230.0143-0.00540.0448-0.00640.00790.197-0.3095-0.40510.2731-0.216-0.240.5922-0.136201.49650.13990.18511.1096-0.02661.9253-1.5237-57.2012-63.3618
781.4565-0.45790.38811.3119-0.22161.6006-0.0581-0.3115-0.54580.34360.1552-0.05540.5997-0.707800.9924-0.12160.43430.8862-0.03821.0895-27.6487-43.5332-65.0295
790.26090.22630.06470.88960.53530.3661-0.04650.3387-0.0795-0.1214-0.09021.3509-0.6671-1.17930.00010.8824-0.14850.32962.0299-0.21012.1857-52.8985-25.5258-65.3011
800.1475-0.0601-0.07090.04050.01960.04410.10060.01350.02920.18190.19990.0066-0.0946-0.170.0011.8266-0.1545-0.11672.1648-0.59491.6452-27.4891-26.2129-63.1447
810.0839-0.0064-0.09970.2195-0.15530.24340.56090.5444-0.7630.10590.0956-0.33250.74820.62620.00021.69270.30050.18181.0238-0.57431.79141.0069-67.6017-104.099
820.819-0.14160.89461.2505-0.16930.99580.10150.3688-0.3014-0.5661-0.0159-0.01010.16290.19380.00341.28730.00740.48060.8955-0.71410.8171-13.8663-46.6173-119.4463
830.30910.13840.06850.5668-0.40630.3980.09310.5639-0.0692-0.5038-0.04670.2082-0.4596-0.5786-01.60080.01130.11171.5084-0.59550.6196-31.5392-22.9062-130.3409
840.00710.01140.0110.01810.01750.0165-0.09210.01290.0781-0.0937-0.02420.1034-0.0857-0.03260.00091.176-0.0471-0.09751.5042-0.57790.5235-28.9396-41.4105-112.9144
850.01390.0575-0.01510.248-0.0660.016-0.05620.11990.5205-0.1538-0.0139-0.1510.38030.6204-0.00021.30660.36070.37811.4489-0.74731.723219.1548-51.9888-107.786
860.75340.06680.48971.1488-0.9811.3272-0.29260.7105-0.1343-0.57960.053-0.8605-0.38540.5866-0.04091.3107-0.13280.87411.4134-0.75370.72179.7552-25.7387-117.9724
870.4160.32730.03110.26730.00850.19610.14120.79410.31550.0424-0.1762-0.21-0.0862-0.144101.5865-0.11690.36781.4021-0.24250.6478-7.5041-2.0516-126.1929
880.0414-0.05980.080.0851-0.11590.19350.02320.05330.1085-0.1621-0.04370.2187-0.0895-0.0730.00052.72070.0240.69471.9385-0.1540.2854-5.4864-24.8496-124.9108
890.1327-0.02580.05480.0045-0.02480.30990.2457-0.2571-0.74130.64880.40640.07170.59891.16510.00080.84590.35470.30540.8554-0.51292.173217.5355-40.2511-65.3043
901.41790.6530.54532.10571.29662.3099-0.3418-0.1925-0.94970.05610.353-0.25320.2521-0.03160.00020.54130.21610.42550.6779-0.19981.0803-2.7419-19.0766-60.7717
910.93770.4294-0.30681.5608-0.39290.6612-0.3723-0.0918-0.414-0.33810.07660.9137-0.023-0.41840.02030.74880.48110.14341.2443-0.28280.8341-24.20112.5528-60.5449
920.06-0.0560.03420.1848-0.11510.06820.3713-0.6703-1.1819-0.05650.06240.69840.8035-0.11980.00051.64890.0743-0.03491.0165-0.36771.8996-10.6757-70.8601-81.1132
930.4907-0.0494-0.0521.129-0.33150.53550.2588-0.0787-0.806-0.2434-0.30.48760.8481-0.69430.0031.2232-0.3710.31840.7905-0.56881.2493-32.5456-55.7355-92.9594
940.7031-0.05880.55950.4848-0.31080.587-0.1404-0.1488-0.3541-0.33850.0103-0.01830.1937-0.77401.2153-0.13260.1341.3237-0.70771.2714-47.0779-29.8138-100.166
950.29930.0390.1782.388-0.66631.0187-0.13810.3499-0.4311-0.72590.0660.9394-0.2154-0.63330.02281.15890.0827-0.09491.43-0.8230.6484-45.32085.8603-102.3741
961.4767-0.34480.0250.3673-0.06450.95560.02280.7812-0.0122-0.94780.08550.0291-0.508-0.54010.00191.25650.1758-0.02521.5086-0.39380.245-41.522923.0782-108.9905
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 24:94 )A24 - 94
2X-RAY DIFFRACTION2( CHAIN A AND RESID 95:382 )A95 - 382
3X-RAY DIFFRACTION3( CHAIN A AND RESID 383:511 )A383 - 511
4X-RAY DIFFRACTION4( CHAIN A AND RESID 600:601 )A600 - 601
5X-RAY DIFFRACTION5( CHAIN B AND RESID 26:94 )B26 - 94
6X-RAY DIFFRACTION6( CHAIN B AND RESID 95:382 )B95 - 382
7X-RAY DIFFRACTION7( CHAIN B AND RESID 383:511 )B383 - 511
8X-RAY DIFFRACTION8( CHAIN B AND RESID 600:601 )B600 - 601
9X-RAY DIFFRACTION9( CHAIN C AND RESID 25:94 )C25 - 94
10X-RAY DIFFRACTION10( CHAIN C AND RESID 95:382 )C95 - 382
11X-RAY DIFFRACTION11( CHAIN C AND RESID 383:511 )C383 - 511
12X-RAY DIFFRACTION12( CHAIN C AND RESID 600:601 )C600 - 601
13X-RAY DIFFRACTION13( CHAIN D AND RESID 2:74 )D2 - 74
14X-RAY DIFFRACTION14( CHAIN D AND RESID 75:344 )D75 - 344
15X-RAY DIFFRACTION15( CHAIN D AND RESID 345:459 )D345 - 459
16X-RAY DIFFRACTION16( CHAIN D AND RESID 600:601 )D600 - 601
17X-RAY DIFFRACTION17( CHAIN E AND RESID 2:74 )E2 - 74
18X-RAY DIFFRACTION18( CHAIN E AND RESID 75:344 )E75 - 344
19X-RAY DIFFRACTION19( CHAIN E AND RESID 345:459 )E345 - 459
20X-RAY DIFFRACTION20( CHAIN F AND RESID 2:74 )F2 - 74
21X-RAY DIFFRACTION21( CHAIN F AND RESID 75:344 )F75 - 344
22X-RAY DIFFRACTION22( CHAIN F AND RESID 345:459 )F345 - 459
23X-RAY DIFFRACTION23( CHAIN G AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:296 ) )G1 - 284
24X-RAY DIFFRACTION23( CHAIN G AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:296 ) )G300
25X-RAY DIFFRACTION23( CHAIN G AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:296 ) )G287 - 296
26X-RAY DIFFRACTION24( CHAIN H AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:142 ) )H1 - 138
27X-RAY DIFFRACTION24( CHAIN H AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:142 ) )H200
28X-RAY DIFFRACTION24( CHAIN H AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:142 ) )H139 - 142
29X-RAY DIFFRACTION25( CHAIN I AND RESID 24:94 )I24 - 94
30X-RAY DIFFRACTION26( CHAIN I AND RESID 95:382 )I95 - 382
31X-RAY DIFFRACTION27( CHAIN I AND RESID 383:511 )I383 - 511
32X-RAY DIFFRACTION28( CHAIN I AND RESID 600:601 )I600 - 601
33X-RAY DIFFRACTION29( CHAIN J AND RESID 26:94 )J26 - 94
34X-RAY DIFFRACTION30( CHAIN J AND RESID 95:382 )J95 - 382
35X-RAY DIFFRACTION31( CHAIN J AND RESID 383:511 )J383 - 511
36X-RAY DIFFRACTION32( CHAIN J AND RESID 600:601 )J600 - 601
37X-RAY DIFFRACTION33( CHAIN K AND RESID 25:94 )K25 - 94
38X-RAY DIFFRACTION34( CHAIN K AND RESID 95:382 )K95 - 382
39X-RAY DIFFRACTION35( CHAIN K AND RESID 383:511 )K383 - 511
40X-RAY DIFFRACTION36( CHAIN K AND RESID 600:601 )K600 - 601
41X-RAY DIFFRACTION37( CHAIN L AND RESID 2:74 )L2 - 74
42X-RAY DIFFRACTION38( CHAIN L AND RESID 75:344 )L75 - 344
43X-RAY DIFFRACTION39( CHAIN L AND RESID 345:459 )L345 - 459
44X-RAY DIFFRACTION40( CHAIN L AND RESID 600:601 )L600 - 601
45X-RAY DIFFRACTION41( CHAIN M AND RESID 2:74 )M2 - 74
46X-RAY DIFFRACTION42( CHAIN M AND RESID 75:344 )M75 - 344
47X-RAY DIFFRACTION43( CHAIN M AND RESID 345:459 )M345 - 459
48X-RAY DIFFRACTION44( CHAIN N AND RESID 2:74 )N2 - 74
49X-RAY DIFFRACTION45( CHAIN N AND RESID 75:344 )N75 - 344
50X-RAY DIFFRACTION46( CHAIN N AND RESID 345:459 )N345 - 459
51X-RAY DIFFRACTION47( CHAIN O AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:291 ) )O1 - 284
52X-RAY DIFFRACTION47( CHAIN O AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:291 ) )O300
53X-RAY DIFFRACTION47( CHAIN O AND ( RESID 1:284 OR RESID 300:300 OR RESID 287:291 ) )O287 - 291
54X-RAY DIFFRACTION48( CHAIN P AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:140 ) )P1 - 138
55X-RAY DIFFRACTION48( CHAIN P AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:140 ) )P200
56X-RAY DIFFRACTION48( CHAIN P AND ( RESID 1:138 OR RESID 200:200 OR RESID 139:140 ) )P139 - 140
57X-RAY DIFFRACTION49( CHAIN Q AND RESID 24:94 )Q24 - 94
58X-RAY DIFFRACTION50( CHAIN Q AND RESID 95:382 )Q95 - 382
59X-RAY DIFFRACTION51( CHAIN Q AND RESID 383:511 )Q383 - 511
60X-RAY DIFFRACTION52( CHAIN Q AND RESID 600:601 )Q600 - 601
61X-RAY DIFFRACTION53( CHAIN R AND RESID 26:94 )R26 - 94
62X-RAY DIFFRACTION54( CHAIN R AND RESID 95:382 )R95 - 382
63X-RAY DIFFRACTION55( CHAIN R AND RESID 383:511 )R383 - 511
64X-RAY DIFFRACTION56( CHAIN R AND RESID 600:601 )R600 - 601
65X-RAY DIFFRACTION57( CHAIN S AND RESID 25:94 )S25 - 94
66X-RAY DIFFRACTION58( CHAIN S AND RESID 95:382 )S95 - 382
67X-RAY DIFFRACTION59( CHAIN S AND RESID 383:511 )S383 - 511
68X-RAY DIFFRACTION60( CHAIN S AND RESID 600:601 )S600 - 601
69X-RAY DIFFRACTION61( CHAIN T AND RESID 2:74 )T2 - 74
70X-RAY DIFFRACTION62( CHAIN T AND RESID 75:344 )T75 - 344
71X-RAY DIFFRACTION63( CHAIN T AND RESID 345:459 )T345 - 459
72X-RAY DIFFRACTION64( CHAIN T AND RESID 600:601 )T600 - 601
73X-RAY DIFFRACTION65( CHAIN U AND RESID 2:74 )U2 - 74
74X-RAY DIFFRACTION66( CHAIN U AND RESID 75:344 )U75 - 344
75X-RAY DIFFRACTION67( CHAIN U AND RESID 345:459 )U345 - 459
76X-RAY DIFFRACTION68( CHAIN V AND RESID 2:74 )V2 - 74
77X-RAY DIFFRACTION69( CHAIN V AND RESID 75:344 )V75 - 344
78X-RAY DIFFRACTION70( CHAIN V AND RESID 345:459 )V345 - 459
79X-RAY DIFFRACTION71( CHAIN W AND ( RESID 1:284 OR RESID 300:300 ) )W1 - 284
80X-RAY DIFFRACTION71( CHAIN W AND ( RESID 1:284 OR RESID 300:300 ) )W300
81X-RAY DIFFRACTION72( CHAIN X AND ( RESID 1:138 OR RESID 139:139 ) )X1 - 138
82X-RAY DIFFRACTION72( CHAIN X AND ( RESID 1:138 OR RESID 139:139 ) )X139
83X-RAY DIFFRACTION73( CHAIN Y AND RESID 24:94 )Y24 - 94
84X-RAY DIFFRACTION74( CHAIN Y AND RESID 95:382 )Y95 - 382
85X-RAY DIFFRACTION75( CHAIN Y AND RESID 383:511 )Y383 - 511
86X-RAY DIFFRACTION76( CHAIN Y AND RESID 600:601 )Y600 - 601
87X-RAY DIFFRACTION77( CHAIN Z AND RESID 26:94 )Z26 - 94
88X-RAY DIFFRACTION78( CHAIN Z AND RESID 95:382 )Z95 - 382
89X-RAY DIFFRACTION79( CHAIN Z AND RESID 383:511 )Z383 - 511
90X-RAY DIFFRACTION80( CHAIN Z AND RESID 600:601 )Z600 - 601
91X-RAY DIFFRACTION81( CHAIN a AND RESID 25:94 )a25 - 94
92X-RAY DIFFRACTION82( CHAIN a AND RESID 95:382 )a95 - 382
93X-RAY DIFFRACTION83( CHAIN a AND RESID 383:511 )a383 - 511
94X-RAY DIFFRACTION84( CHAIN a AND RESID 600:601 )a600 - 601
95X-RAY DIFFRACTION85( CHAIN b AND RESID 2:74 )b2 - 74
96X-RAY DIFFRACTION86( CHAIN b AND RESID 75:344 )b75 - 344
97X-RAY DIFFRACTION87( CHAIN b AND RESID 345:459 )b345 - 459
98X-RAY DIFFRACTION88( CHAIN b AND RESID 600:601 )b600 - 601
99X-RAY DIFFRACTION89( CHAIN c AND RESID 2:74 )c2 - 74
100X-RAY DIFFRACTION90( CHAIN c AND RESID 75:344 )c75 - 344
101X-RAY DIFFRACTION91( CHAIN c AND RESID 345:459 )c345 - 459
102X-RAY DIFFRACTION92( CHAIN d AND RESID 2:74 )d2 - 74
103X-RAY DIFFRACTION93( CHAIN d AND RESID 75:344 )d75 - 344
104X-RAY DIFFRACTION94( CHAIN d AND RESID 345:459 )d345 - 459
105X-RAY DIFFRACTION95( CHAIN e AND RESID 1:284 )e1 - 284
106X-RAY DIFFRACTION96( CHAIN f AND RESID 1:138 )f1 - 138

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