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- PDB-3oeh: Structure of four mutant forms of yeast F1 ATPase: beta-V279F -

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Basic information

Entry
Database: PDB / ID: 3oeh
TitleStructure of four mutant forms of yeast F1 ATPase: beta-V279F
Components(ATP synthase subunit ...) x 5
KeywordsHYDROLASE / ATP SYNTHASE / ATP PHOSPHATASE / F1F0 ATPASE / ATP SYNTHESIS / ADP / PO4 / MITOCHONDRIA
Function / homology
Function and homology information


: / : / Mitochondrial protein degradation / proton-transporting ATP synthase complex / proton motive force-driven ATP synthesis / mitochondrial nucleoid / proton motive force-driven mitochondrial ATP synthesis / : / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism ...: / : / Mitochondrial protein degradation / proton-transporting ATP synthase complex / proton motive force-driven ATP synthesis / mitochondrial nucleoid / proton motive force-driven mitochondrial ATP synthesis / : / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / ADP binding / mitochondrial intermembrane space / mitochondrial inner membrane / ATP hydrolysis activity / mitochondrion / ATP binding / cytosol
Similarity search - Function
ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / Atp Synthase Epsilon Chain; Chain: I; / : / Fungal epsilon subunit of F1F0-ATP synthase C-terminal domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 ...ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / Atp Synthase Epsilon Chain; Chain: I; / : / Fungal epsilon subunit of F1F0-ATP synthase C-terminal domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 / Elongation Factor Tu (Ef-tu); domain 3 - #20 / 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 / Pyruvate Kinase; Chain: A, domain 1 / ATP synthase, F1 complex, epsilon subunit, mitochondrial / ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / Mitochondrial ATP synthase epsilon chain / 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, F1 complex, alpha subunit nucleotide-binding domain / ATP synthase, alpha subunit, C-terminal / ATP synthase, F1 complex, alpha subunit / ATP synthase alpha/beta chain, C terminal domain / : / ATPase, F1/V1 complex, beta/alpha subunit, C-terminal / C-terminal domain of V and A type ATP synthase / 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. / ATPase, F1/V1/A1 complex, alpha/beta subunit, nucleotide-binding domain / ATP synthase alpha/beta family, nucleotide-binding domain / Elongation Factor Tu (Ef-tu); domain 3 / 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 / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / ATP synthase subunit beta, mitochondrial / ATP synthase subunit alpha, mitochondrial / ATP synthase subunit epsilon, mitochondrial / ATP synthase subunit gamma, mitochondrial / ATP synthase subunit delta, mitochondrial
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsArsenieva, D. / Symersky, J. / Wang, Y. / Pagadala, V. / Mueller, D.M.
CitationJournal: J.Biol.Chem. / Year: 2010
Title: Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling.
Authors: Arsenieva, D. / Symersky, J. / Wang, Y. / Pagadala, V. / Mueller, D.M.
History
DepositionAug 12, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 15, 2010Provider: 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_label_asym_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 subunit gamma
H: ATP synthase subunit delta
I: ATP synthase subunit epsilon
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit alpha
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase subunit beta
P: ATP synthase subunit gamma
Q: ATP synthase subunit delta
R: ATP synthase subunit epsilon
S: ATP synthase subunit alpha
T: ATP synthase subunit alpha
U: ATP synthase subunit alpha
V: ATP synthase subunit beta
W: ATP synthase subunit beta
X: ATP synthase subunit beta
Y: ATP synthase subunit gamma
Z: ATP synthase subunit delta
1: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,127,06957
Polymers1,119,11127
Non-polymers7,95830
Water00
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 subunit gamma
H: ATP synthase subunit delta
I: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,69019
Polymers373,0379
Non-polymers2,65310
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit alpha
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase subunit beta
P: ATP synthase subunit gamma
Q: ATP synthase subunit delta
R: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,69019
Polymers373,0379
Non-polymers2,65310
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
S: ATP synthase subunit alpha
T: ATP synthase subunit alpha
U: ATP synthase subunit alpha
V: ATP synthase subunit beta
W: ATP synthase subunit beta
X: ATP synthase subunit beta
Y: ATP synthase subunit gamma
Z: ATP synthase subunit delta
1: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,69019
Polymers373,0379
Non-polymers2,65310
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)110.931, 291.896, 188.765
Angle α, β, γ (deg.)90.00, 101.91, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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ATP synthase subunit ... , 5 types, 27 molecules ABCJKLSTUDEFMNOVWXGPYHQZIR1

#1: Protein
ATP synthase subunit alpha


Mass: 55007.402 Da / Num. of mol.: 9 / Fragment: UNP RESIDUES 36-545
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP1, YBL099W, YBL0827 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P07251, H+-transporting two-sector ATPase
#2: Protein
ATP synthase subunit beta


Mass: 52058.008 Da / Num. of mol.: 9 / Fragment: UNP RESIDUES 34-511 / Mutation: V279F
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP2, YJR121W, J2041 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P00830, H+-transporting two-sector ATPase
#3: Protein ATP synthase subunit gamma / F-ATPase gamma subunit


Mass: 30657.160 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 34-311
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP3, ATP3a, ATP3b, YBR039W, YBR0408 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P38077, H+-transporting two-sector ATPase
#4: Protein ATP synthase subunit delta / F-ATPase delta subunit


Mass: 14565.385 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 23-160
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP16, YDL004W, YD8119.03, D2935 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: Q12165, H+-transporting two-sector ATPase
#5: Protein ATP synthase subunit epsilon / ATPase subunit epsilon


Mass: 6618.359 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 2-62
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP15, YPL271W, P0345 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P21306, H+-transporting two-sector ATPase

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Non-polymers , 2 types, 30 molecules

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


Mass: 506.196 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#7: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: Mg

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Details

Compound detailsCHAIN A, J, S: ALPHA SUBUNIT(E) CHAIN B, K, T: ALPHA SUBUNIT (TP) CHAIN C, L, U: ALPHA SUBUNIT (DP) ...CHAIN A, J, S: ALPHA SUBUNIT(E) CHAIN B, K, T: ALPHA SUBUNIT (TP) CHAIN C, L, U: ALPHA SUBUNIT (DP) CHAIN D, M, V: BETA SUBUNIT (DP) CHAIN E, N, W: BETA SUBUNIT (E) CHAIN F, O, X: BETA SUBUNIT (TP) CHAIN G, P, Y: GAMMA SUBUNIT CHAIN H, Q, Z: DELTA SUBUNIT CHAIN I, R, 1: EPSILON SUBUNIT

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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: 2.67 Å3/Da / Density % sol: 53.97 %
Crystal growTemperature: 277 K / pH: 7.3
Details: 5.5% PEG 6000, 10% GLYCEROL, 4% METHANOL, 0.05M SODIUM ACETATE, 0.5MM NICKEL SULPHATE, 0.5MM AMP/PNP, 0.025 MM ADP, 2MM MAGNESIUM CHLORIDE, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 18, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 3→50 Å / Num. obs: 203379 / % possible obs: 89.1 % / Observed criterion σ(I): -3 / Redundancy: 1.7 % / Biso Wilson estimate: 88.6 Å2 / Rsym value: 0.05 / Net I/σ(I): 14.1
Reflection shellResolution: 3→3.11 Å / Rsym value: 0.391 / % possible all: 85.8

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Processing

Software
NameVersionClassification
Blu-Icedata collection
MOLREPphasing
REFMAC5.5.0102refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2HLD

2hld


Resolution: 3→20 Å / Cor.coef. Fo:Fc: 0.937 / Cor.coef. Fo:Fc free: 0.892 / SU ML: 0.406 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.508 / Stereochemistry target values: ENGH & HUBER
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
RfactorNum. reflection% reflectionSelection details
Rfree0.27 4157 2 %RANDOM
Rwork0.209 ---
obs0.21 203286 88.81 %-
all-203286 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 109.4 Å2
Refine analyzeLuzzati coordinate error free: 0.508 Å
Refinement stepCycle: LAST / Resolution: 3→20 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms72227 0 480 0 72707
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONr_bond_refined_d0.008
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.16
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg
X-RAY DIFFRACTIONr_dihedral_angle_2_deg
X-RAY DIFFRACTIONr_dihedral_angle_3_deg
X-RAY DIFFRACTIONr_dihedral_angle_4_deg
X-RAY DIFFRACTIONr_chiral_restr
X-RAY DIFFRACTIONr_gen_planes_refined
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it
X-RAY DIFFRACTIONr_scbond_it
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 3→3.07 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.367 289 -
Rwork0.284 13427 -
obs--81.04 %
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)
14.25550.40770.26648.5865-1.32021.5667-0.1454-0.9060.04760.93320.1675-0.2459-0.00930.2325-0.02210.4630.1507-0.10690.929-0.03580.399821.43461.163382.7173
22.96450.1687-0.51681.07140.50931.9176-0.1515-0.1908-0.19890.14120.06910.2540.0979-0.14240.08250.15480.11680.00580.48840.02130.6139-5.79953.639168.5685
36.31580.5478-1.01573.646-0.44755.1555-0.17010.65720.3236-0.49610.22190.5050.2741-0.7661-0.05180.16360.0358-0.11280.92440.08270.9885-31.02438.974751.8463
48.524-0.8807-4.27866.35851.63622.463-0.4507-0.5613-0.81070.05580.2703-0.8590.35510.22790.18040.48760.26530.03290.61710.18321.010335.4128-29.972458.8963
51.5725-0.1831-0.4114.53310.19012.0575-0.27310.189-0.517-1.43140.11320.00440.6299-0.15450.15991.0463-0.06780.0810.3311-0.09840.765121.2364-30.36331.3574
64.78921.18991.62940.8276-0.66914.71720.03380.5019-0.0459-0.46970.0399-0.0869-0.1228-0.2339-0.07372.1899-0.2516-0.22080.9019-0.2590.97563.5873-30.18116.4032
73.0823-0.6081-0.93686.32681.48895.2186-0.133-0.2162-0.0487-0.0433-0.0259-0.915-0.12210.78110.1590.0720.0405-0.00940.8226-0.05131.00852.44457.555455.1555
81.795-0.0887-0.36723.3226-0.25871.5802-0.03010.13520.26-0.72870.0787-0.4792-0.29030.1323-0.04860.4715-0.06430.13350.4061-0.08030.644334.97624.10336.0092
92.9982-0.66510.10776.0278-0.64534.2615-0.15840.44520.5092-1.2502-0.02480.5809-0.844-0.96060.18321.39930.0424-0.1120.87440.07680.685416.234736.885915.1294
1011.022-1.4852-5.10699.0254-2.90066.8388-0.2289-0.7532-0.01271.22180.1826-0.913-0.96731.1160.04640.329-0.0238-0.21030.8681-0.30830.632638.076417.432572.2283
112.37290.09440.29262.5847-0.40171.6681-0.08-0.28130.6009-0.03840.25730.115-0.5207-0.0595-0.17730.28610.0348-0.01610.5038-0.10850.665214.255129.522759.528
124.90571.922-0.34135.7479-1.67833.8621-0.31090.83920.716-1.5690.51490.9033-0.1839-0.6531-0.20410.73580.1039-0.35230.69480.26311.0299-8.606532.336738.7604
132.79314.00310.73277.65992.57643.60760.0409-0.6217-0.66860.82970.0861-0.4160.6464-0.0789-0.1270.4580.38160.03690.94250.42030.713218.5711-21.738776.0375
144.38950.1501-0.05251.95580.58941.8744-0.0524-0.077-0.527-0.1386-0.08850.66160.3735-0.45190.14090.4088-0.02030.01720.49960.05460.9114-2.8793-26.578155.9175
153.7460.6552-0.58243.06420.67645.81270.17841.2077-0.4046-0.948-0.2161.1598-0.1165-1.70940.03770.9073-0.019-0.40381.5374-0.2731.4885-24.2342-27.864934.166
166.21091.2425-0.7759.4071-0.20925.8259-0.3007-0.037-0.729-0.13690.1046-1.30720.5261.06330.19610.30380.27470.2110.6564-0.00271.116252.3608-17.144947.4628
172.0392-0.0262-0.26211.85420.01412.4698-0.10670.3212-0.2018-1.1871-0.0011-0.58310.40580.3350.10790.99680.03590.3440.4757-0.1190.719639.957-6.593522.7651
182.7859-0.00110.72172.67410.23493.52320.0230.8247-0.1014-1.5306-0.08470.4660.2068-0.70010.06181.603-0.0507-0.16150.9672-0.1010.588116.63523.55725.2444
193.1172-0.4407-1.5017.8881-0.41775.2517-0.027-0.3826-0.5358-0.21590.0191-0.9263-0.52121.78640.00790.3767-0.41590.08341.44060.08981.00633.9611-101.518171.5773
201.72290.0803-0.07312.8604-0.47893.87980.07030.3377-0.0419-0.9363-0.1371-0.3428-0.58380.71030.06680.8507-0.19490.2250.7973-0.03850.643118.1324-99.979144.897
211.89530.5496-0.08635.3234-0.30966.80140.10480.80390.2233-1.54030.12150.6645-0.3345-0.5764-0.22631.83810.0727-0.15821.0813-0.04760.8199-0.5157-100.23820.2999
220.8797-0.7955-0.63742.810.50983.88540.3076-0.16970.21590.1018-0.2788-0.3744-1.11990.3055-0.02881.7434-0.64230.05560.7206-0.22410.693413.5806-70.478490.2686
232.90010.0237-0.33782.4913-0.06670.51120.35910.12120.6943-0.0184-0.14780.5618-1.053-0.123-0.21132.2980.1930.18080.5236-0.12490.7709-15.1719-66.691677.5933
244.27971.1498-0.74720.48790.15942.66120.12880.32780.6656-0.3068-0.13110.6198-0.9696-0.9370.00232.43340.9183-0.15521.35380.03341.7293-41.5155-63.452563.042
255.483-1.38760.19094.2481-0.92595.96310.1192-0.9189-0.2680.3697-0.2123-0.4148-0.35350.48810.09320.4708-0.2701-0.07080.8840.03640.50497.333-109.0815103.2098
261.34371.0668-0.44752.3157-0.42263.1308-0.1245-0.0251-0.2004-0.2318-0.0643-0.03870.1254-0.270.18870.2237-0.09740.04390.5878-0.08960.5446-13.7247-122.266785.1022
273.7432-0.0421-1.03156.8522-0.90786.2385-0.10080.6312-0.3714-1.66150.24661.16330.8786-1.4192-0.14570.8521-0.4741-0.22351.176-0.18390.9254-35.4524-132.272666.0486
284.2162-2.0064-3.41714.46423.35666.2023-0.1226-0.7116-0.71760.1444-0.1091-0.97130.33781.30810.23170.3222-0.1145-0.01741.09940.24840.872122.934-118.530486.9319
292.00620.9467-0.1343.1576-0.91123.1273-0.0631-0.0095-0.44-0.4931-0.03440.14940.57540.50230.09750.48120.03050.15980.5613-0.00480.817.673-126.777662.7738
302.9570.19850.70592.3714-0.73165.31310.15790.5879-0.3466-0.86350.17181.17390.3132-1.0863-0.32981.0547-0.1509-0.2980.8501-0.03091.2783-15.6942-124.425242.4362
316.5922-3.6556-1.39515.8939-0.61081.33990.1887-0.26930.7060.5044-0.2337-1.1301-1.12920.96640.04511.5887-1.17980.02241.2584-0.05280.830129.2413-77.731671.6488
321.5481-0.6802-0.57262.1383-1.29614.42770.16330.46090.4427-0.3972-0.01770.0181-1.73260.0469-0.14552.1155-0.38270.10790.67830.06220.70818.598-69.735151.6309
336.35180.6645-1.82421.3262-0.38833.57860.26441.27390.3575-0.60720.09920.4039-0.9058-1.5293-0.36362.64760.4931-0.0071.8790.25731.1882-14.2574-65.206531.6225
348.25731.39240.17538.25980.20595.940.1752-1.29390.40790.8052-0.1069-0.3424-1.413-0.0995-0.06831.2641-0.4007-0.00640.8232-0.23540.41171.5237-84.1587106.0619
352.63210.09260.01332.031-0.27972.74540.2423-0.39540.26630.4619-0.20460.5542-1.0779-0.7094-0.03770.92260.10720.09940.7357-0.22140.6324-24.5623-91.562794.2676
364.2349-2.3190.37834.7483-1.1583.19730.3310.79060.1415-0.67330.01611.0734-0.6296-1.5116-0.34710.73130.3737-0.18261.5126-0.12791.0511-43.6992-98.017270.943
374.8896-1.80910.53717.8712-0.96193.0393-0.122-0.73190.06120.55680.0345-0.15251.1597-0.07370.08752.6126-0.49140.21781.2356-0.10840.645831.4559-34.8037184.1317
381.80310.2831-0.10825.0560.56352.70560.1489-0.13740.09950.975-0.13480.0750.3198-0.1119-0.01411.3736-0.1314-0.19450.5512-0.03930.667748.3954-20.8934162.813
393.87831.9932-0.52184.99330.91755.84480.21340.79040.0109-1.23770.2824-1.1556-0.34650.2307-0.49581.3871-0.05850.03670.8151-0.04161.21667.0462-11.0852140.8892
409.8767-2.8712-2.04061.9567-1.35075.26880.1502-0.54170.02260.482-0.08630.67250.1685-0.6876-0.0642.0252-0.92220.84681.8811-0.68261.5917-4.1013-34.712162.7456
412.6635-0.04971.19043.84680.35452.444-0.01450.27660.25360.0864-0.46271.06860.3637-1.13430.47721.16-0.41070.19351.6829-0.50151.20020.9494-33.1557132.3087
426.6114-0.88910.08274.5233-1.26770.49560.25621.34450.164-0.569-0.32980.07790.0861-0.4460.07351.8089-0.0723-0.24852.2492-0.35091.00918.2795-29.5184103.1722
433.8338-4.0135-0.01745.1485-1.27253.2553-0.2717-0.3352-0.80110.9321-0.08270.30150.0012-0.24910.35442.8673-0.82520.39191.30160.1151.269715.7238-70.8351169.4664
441.14610.57650.05791.47130.08010.8535-0.0387-0.2417-0.54940.70180.013-0.30440.6909-0.16110.02582.3944-0.3441-0.11570.97420.06681.041437.2718-73.3839147.711
454.97020.085-2.40541.53081.3322.4713-0.1203-0.00770.39380.07880.18810.04560.14480.4626-0.06782.5451-0.3414-0.30681.03060.23491.867556.27-73.0958123.755
468.82751.4595-2.94710.4211-0.94534.9980.2892-1.1124-0.65640.6714-0.101-0.0007-0.1449-0.5044-0.18823.1401-0.41620.10171.17720.15730.967733.7498-60.4271181.8965
471.80340.2736-0.60073.15580.14193.13570.0989-0.3387-0.52560.9419-0.0363-0.48790.96510.3876-0.06262.2315-0.0574-0.48010.64710.08331.021956.316-53.7963163.9571
482.5101-0.4267-1.3136.98130.68154.40520.16580.689-0.2263-0.76480.291-1.46070.58830.5585-0.45681.50630.1201-0.2391.0204-0.28731.546670.5779-45.5984137.6705
497.1965-1.53561.0824.1074-4.19414.8966-0.0489-0.92180.66290.64510.11670.56480.2881-0.5275-0.06782.2384-0.66420.64451.5275-0.54271.02814.196-21.1837174.3334
501.0260.4849-0.45553.03230.19644.31780.10540.03730.33730.3162-0.36940.17650.0446-0.76860.2641.0514-0.0315-0.011.0735-0.21830.895521.0613-9.2481147.8047
514.19652.2538-1.59414.4245-0.13166.709-0.23761.10340.5323-0.93320.1779-0.3113-0.4315-0.06640.05971.40420.2057-0.13881.40590.12940.998930.6693-0.8823120.1362
521.3893-2.2168-1.42933.91523.41135.8706-0.2371-0.0958-0.79940.73190.04041.04790.4928-0.92970.19672.2713-1.11410.74051.941-0.31411.5834-4.9934-58.7761159.3212
531.39180.9796-0.58882.69490.38741.2462-0.0397-0.0041-0.39380.4857-0.31880.86990.4602-0.81110.35841.8075-0.80760.2351.358-0.30541.19688.114-63.8107133.3062
544.58080.25641.97163.848-1.03394.3836-0.0580.18880.2477-0.2746-0.2724-0.32060.4388-0.24450.33041.4459-0.53140.12070.8033-0.33190.770328.4854-57.5694110.6566
5528.7266-3.211225.23362.3532-4.413323.86440.15260.11790.5989-0.99210.05720.3690.8329-0.3883-0.20980.98540.0385-0.19930.82650.0480.80563.71550.408434.6812
5610.15052.14493.46972.45460.84585.76920.3664-0.84210.10880.3974-0.2950.185-0.1995-0.3195-0.07140.9158-0.0162-0.03081.05720.04110.49-31.213117.21762.2296
5727.21762.888724.83390.91431.90123.9653-0.8413-0.21481.0658-0.41670.07110.4614-0.8176-0.7430.77021.12250.0621-0.21460.8941-0.13620.8779-15.1146-94.732656.8698
586.6232-0.90436.46433.48180.054613.7066-0.3121-0.5720.1765-0.13690.13110.2751-0.1987-1.40060.1810.8597-0.0491-0.20081.5494-0.10470.972-50.2466-103.66623.229
599.45625.4259-18.38513.7642-9.741839.4223-0.0664-0.7905-0.48840.2159-0.8274-0.52670.78611.41270.89381.5087-0.2925-0.00081.0953-0.03361.083937.1789-36.8724133.461
607.38951.6796-6.53482.7687-1.26428.60440.42650.7705-0.5827-0.2282-0.3679-0.6250.0546-0.0293-0.05861.6687-0.1857-0.08851.6168-0.20081.338560.3603-33.922697.0421
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A26 - 97
2X-RAY DIFFRACTION2A98 - 382
3X-RAY DIFFRACTION3A383 - 509
4X-RAY DIFFRACTION4B25 - 97
5X-RAY DIFFRACTION5B98 - 382
6X-RAY DIFFRACTION6B383 - 509
7X-RAY DIFFRACTION7C26 - 97
8X-RAY DIFFRACTION8C98 - 382
9X-RAY DIFFRACTION9C383 - 509
10X-RAY DIFFRACTION10D6 - 82
11X-RAY DIFFRACTION11D83 - 357
12X-RAY DIFFRACTION12D358 - 475
13X-RAY DIFFRACTION13E8 - 82
14X-RAY DIFFRACTION14E83 - 357
15X-RAY DIFFRACTION15E358 - 475
16X-RAY DIFFRACTION16F7 - 82
17X-RAY DIFFRACTION17F83 - 357
18X-RAY DIFFRACTION18F358 - 475
19X-RAY DIFFRACTION19J26 - 97
20X-RAY DIFFRACTION20J98 - 382
21X-RAY DIFFRACTION21J383 - 509
22X-RAY DIFFRACTION22K21 - 97
23X-RAY DIFFRACTION23K98 - 382
24X-RAY DIFFRACTION24K383 - 509
25X-RAY DIFFRACTION25L26 - 97
26X-RAY DIFFRACTION26L98 - 382
27X-RAY DIFFRACTION27L383 - 509
28X-RAY DIFFRACTION28M6 - 82
29X-RAY DIFFRACTION29M83 - 357
30X-RAY DIFFRACTION30M358 - 475
31X-RAY DIFFRACTION31N6 - 82
32X-RAY DIFFRACTION32N83 - 357
33X-RAY DIFFRACTION33N358 - 475
34X-RAY DIFFRACTION34O7 - 82
35X-RAY DIFFRACTION35O83 - 357
36X-RAY DIFFRACTION36O358 - 474
37X-RAY DIFFRACTION37S27 - 97
38X-RAY DIFFRACTION38S98 - 382
39X-RAY DIFFRACTION39S383 - 509
40X-RAY DIFFRACTION40T26 - 97
41X-RAY DIFFRACTION41T98 - 382
42X-RAY DIFFRACTION42T383 - 509
43X-RAY DIFFRACTION43U26 - 97
44X-RAY DIFFRACTION44U98 - 382
45X-RAY DIFFRACTION45U383 - 509
46X-RAY DIFFRACTION46V6 - 82
47X-RAY DIFFRACTION47V83 - 357
48X-RAY DIFFRACTION48V358 - 475
49X-RAY DIFFRACTION49W8 - 82
50X-RAY DIFFRACTION50W83 - 357
51X-RAY DIFFRACTION51W358 - 474
52X-RAY DIFFRACTION52X7 - 82
53X-RAY DIFFRACTION53X83 - 357
54X-RAY DIFFRACTION54X358 - 475
55X-RAY DIFFRACTION55G1 - 25
56X-RAY DIFFRACTION55G234 - 276
57X-RAY DIFFRACTION56G26 - 233
58X-RAY DIFFRACTION56H11 - 136
59X-RAY DIFFRACTION56I8 - 61
60X-RAY DIFFRACTION57P1 - 25
61X-RAY DIFFRACTION57P234 - 276
62X-RAY DIFFRACTION58P26 - 233
63X-RAY DIFFRACTION58Q12 - 137
64X-RAY DIFFRACTION58R10 - 47
65X-RAY DIFFRACTION59Y1 - 25
66X-RAY DIFFRACTION59Y234 - 275
67X-RAY DIFFRACTION60Y26 - 233
68X-RAY DIFFRACTION60Z119 - 135
69X-RAY DIFFRACTION6019 - 45

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