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- PDB-4ro0: Crystal structure of MthK gating ring in a ligand-free form -

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Basic information

Entry
Database: PDB / ID: 4ro0
TitleCrystal structure of MthK gating ring in a ligand-free form
ComponentsCalcium-gated potassium channel MthK
KeywordsTRANSPORT PROTEIN / Rossmann fold / octamer / gating ring of a Calcium-gated potassium channel
Function / homology
Function and homology information


monoatomic cation transmembrane transporter activity / potassium ion transport / identical protein binding / metal ion binding / plasma membrane
Similarity search - Function
Voltage-gated potassium channel / Regulator of K+ conductance, C-terminal domain / Regulator of K+ conductance, N-terminal / TrkA-N domain / RCK N-terminal domain profile. / Regulator of K+ conductance, C-terminal / Regulator of K+ conductance, C-terminal domain superfamily / TrkA-C domain / RCK C-terminal domain profile. / Potassium channel domain ...Voltage-gated potassium channel / Regulator of K+ conductance, C-terminal domain / Regulator of K+ conductance, N-terminal / TrkA-N domain / RCK N-terminal domain profile. / Regulator of K+ conductance, C-terminal / Regulator of K+ conductance, C-terminal domain superfamily / TrkA-C domain / RCK C-terminal domain profile. / Potassium channel domain / Ion channel / Single alpha-helices involved in coiled-coils or other helix-helix interfaces / NAD(P)-binding Rossmann-like Domain / Alpha-Beta Plaits / NAD(P)-binding domain superfamily / Up-down Bundle / Rossmann fold / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Calcium-gated potassium channel MthK
Similarity search - Component
Biological speciesMethanothermobacter thermautotrophicus (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.18 Å
AuthorsDong, W. / Guo, R. / Chai, H. / Chen, Z. / Cui, H. / Ren, Z. / Li, Y. / Ye, S.
CitationJournal: To be Published
Title: The principle of cooperative gating in a calcium-gated K+ channel
Authors: Dong, W. / Guo, R. / Chai, H. / Chen, Z. / Cui, H. / Ren, Z. / Li, Y. / Ye, S.
History
DepositionOct 27, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 28, 2015Provider: repository / Type: Initial release
Revision 1.1Feb 28, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Calcium-gated potassium channel MthK
a: Calcium-gated potassium channel MthK
B: Calcium-gated potassium channel MthK
b: Calcium-gated potassium channel MthK
C: Calcium-gated potassium channel MthK
c: Calcium-gated potassium channel MthK
D: Calcium-gated potassium channel MthK
d: Calcium-gated potassium channel MthK
E: Calcium-gated potassium channel MthK
e: Calcium-gated potassium channel MthK
F: Calcium-gated potassium channel MthK
f: Calcium-gated potassium channel MthK
G: Calcium-gated potassium channel MthK
g: Calcium-gated potassium channel MthK
H: Calcium-gated potassium channel MthK
h: Calcium-gated potassium channel MthK
I: Calcium-gated potassium channel MthK
i: Calcium-gated potassium channel MthK
J: Calcium-gated potassium channel MthK
j: Calcium-gated potassium channel MthK
K: Calcium-gated potassium channel MthK
k: Calcium-gated potassium channel MthK
L: Calcium-gated potassium channel MthK
l: Calcium-gated potassium channel MthK
M: Calcium-gated potassium channel MthK
m: Calcium-gated potassium channel MthK
N: Calcium-gated potassium channel MthK
n: Calcium-gated potassium channel MthK
O: Calcium-gated potassium channel MthK
o: Calcium-gated potassium channel MthK
P: Calcium-gated potassium channel MthK
p: Calcium-gated potassium channel MthK
Q: Calcium-gated potassium channel MthK
q: Calcium-gated potassium channel MthK
R: Calcium-gated potassium channel MthK
r: Calcium-gated potassium channel MthK
S: Calcium-gated potassium channel MthK
s: Calcium-gated potassium channel MthK
T: Calcium-gated potassium channel MthK
t: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)1,017,91940
Polymers1,017,91940
Non-polymers00
Water0
1
A: Calcium-gated potassium channel MthK
a: Calcium-gated potassium channel MthK
B: Calcium-gated potassium channel MthK
b: Calcium-gated potassium channel MthK
C: Calcium-gated potassium channel MthK
c: Calcium-gated potassium channel MthK
D: Calcium-gated potassium channel MthK
d: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)203,5848
Polymers203,5848
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: Calcium-gated potassium channel MthK
e: Calcium-gated potassium channel MthK
F: Calcium-gated potassium channel MthK
f: Calcium-gated potassium channel MthK
G: Calcium-gated potassium channel MthK
g: Calcium-gated potassium channel MthK
H: Calcium-gated potassium channel MthK
h: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)203,5848
Polymers203,5848
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
I: Calcium-gated potassium channel MthK
i: Calcium-gated potassium channel MthK
J: Calcium-gated potassium channel MthK
j: Calcium-gated potassium channel MthK
K: Calcium-gated potassium channel MthK
k: Calcium-gated potassium channel MthK
L: Calcium-gated potassium channel MthK
l: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)203,5848
Polymers203,5848
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
M: Calcium-gated potassium channel MthK
m: Calcium-gated potassium channel MthK
N: Calcium-gated potassium channel MthK
n: Calcium-gated potassium channel MthK
O: Calcium-gated potassium channel MthK
o: Calcium-gated potassium channel MthK
P: Calcium-gated potassium channel MthK
p: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)203,5848
Polymers203,5848
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
Q: Calcium-gated potassium channel MthK
q: Calcium-gated potassium channel MthK
R: Calcium-gated potassium channel MthK
r: Calcium-gated potassium channel MthK
S: Calcium-gated potassium channel MthK
s: Calcium-gated potassium channel MthK
T: Calcium-gated potassium channel MthK
t: Calcium-gated potassium channel MthK


Theoretical massNumber of molelcules
Total (without water)203,5848
Polymers203,5848
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)166.339, 231.680, 197.979
Angle α, β, γ (deg.)90.00, 94.58, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2given(-0.797639, 0.008628, -0.603074), (-0.01074, -0.999942, -0.000101), (-0.60304, 0.006397, 0.797686)121.94341, -30.04527, 40.88769

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Components

#1: Protein ...
Calcium-gated potassium channel MthK


Mass: 25447.984 Da / Num. of mol.: 40 / Fragment: MthK RCK, UNP residues 107-336 / Source method: isolated from a natural source
Source: (natural) Methanothermobacter thermautotrophicus (archaea)
Strain: ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H
References: UniProt: O27564

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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: 3.74 Å3/Da / Density % sol: 67.07 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: 0.4 M KCl, 0.1 M Tris and 20-25% PEGMME 350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD
RadiationMonochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.18→49.26 Å / Num. obs: 229804 / % possible obs: 92.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4 % / Rmerge(I) obs: 0.161 / Rsym value: 0.161 / Net I/σ(I): 10.8
Reflection shellResolution: 3.2→3.31 Å / Redundancy: 4 % / Rmerge(I) obs: 0.742 / Mean I/σ(I) obs: 1.8 / Num. unique all: 23046 / Rsym value: 0.742 / % possible all: 93.4

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Processing

Software
NameVersionClassification
HKL-2000data collection
PHASERphasing
REFMAC5.8.0049refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.18→49.26 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.901 / SU B: 67.735 / SU ML: 0.484 / Cross valid method: THROUGHOUT / ESU R Free: 0.543 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.30065 2303 1 %RANDOM
Rwork0.26348 ---
obs0.26385 227378 92.19 %-
all-229804 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 79.695 Å2
Baniso -1Baniso -2Baniso -3
1--5.34 Å2-0 Å21.18 Å2
2--7.69 Å2-0 Å2
3----2.51 Å2
Refinement stepCycle: LAST / Resolution: 3.18→49.26 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms68748 0 0 0 68748
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0060.01969588
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.1031.97793946
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.1258800
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.66123.5023318
X-RAY DIFFRACTIONr_dihedral_angle_3_deg19.4381512714
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.28115798
X-RAY DIFFRACTIONr_chiral_restr0.0720.210840
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.02152350
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_it1.3594.06735320
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it2.4226.09744080
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it1.3944.18234268
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined6.0337.753274441
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 3.2→3.267 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.423 148 -
Rwork0.406 15588 -
obs--85.87 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.66931.08670.04253.4378-1.15883.3526-0.01540.51750.0226-0.12010.0240.2201-0.0512-0.5752-0.00870.26930.0308-0.01810.1901-0.01630.185840.8134-25.716245.5434
219.91389.31252.82184.65851.86821.7745-0.1696-0.11060.4532-0.057900.25540.080.4630.16960.35510.03360.08090.40070.03910.362463.2154-12.398841.5851
30.06270.1943-0.10036.8625-0.63543.57950.18520.02070.0379-0.0207-0.52230.0285-0.1162-0.4530.33710.61870.06490.09530.27290.04660.366356.7156-8.084132.7527
45.5183-1.7796-1.45385.6522.25035.119-0.01610.6493-0.027-1.07960.1993-0.03980.1274-0.9385-0.18320.521-0.09950.04230.37240.07990.058351.9272-20.355916.0875
53.1730.2478-0.19565.60352.4114.96370.10750.17370.3587-0.00410.2269-0.6-0.24470.528-0.33430.305-0.04180.07340.07360.01460.346561.8696-5.005952.5229
611.27876.80525.52199.82512.38063.01340.08240.2197-0.3424-0.20830.1766-0.3611-0.0147-0.149-0.2590.30530.10910.00390.53330.05780.321546.1211-18.161136.0432
710.14033.1586-1.61320.9886-0.49480.30420.1326-0.2489-0.18160.0359-0.0887-0.1018-0.088-0.1088-0.04390.53810.07760.06460.56710.10110.429856.5228-22.691232.7381
83.8662-0.48760.41014.7623-1.61414.79280.06050.2430.6828-0.82130.2469-0.4843-0.6662-0.1285-0.30740.5565-0.0380.22930.04550.08020.457470.7307-10.412122.6151
94.3942-0.21740.27614.68011.46234.39870.06220.2840.2639-0.0019-0.20060.3008-0.4499-0.61750.13840.61110.14420.02440.12170.03090.547137.02757.056557.3123
104.61641.68933.98950.98693.479819.73470.1031-0.08250.2252-0.0276-0.0279-0.16010.0884-0.2161-0.07520.5236-0.0245-0.05240.1292-0.03850.475252.159217.916975.995
111.7381.23353.18533.35561.35476.222-0.294-0.24020.07270.2640.17760.2446-0.8646-0.5380.11640.62340.03290.01820.19130.04140.58542.263624.124577.6251
125.38631.1004-0.82175.8098-2.12495.4131-0.33380.6926-0.1195-0.3372-0.13270.3318-0.74750.14970.46651.51430.2196-0.23920.1704-0.08581.05735.920738.223963.0517
133.29320.5776-0.45565.4705-1.24185.03190.0421-0.37320.09940.019-0.2675-0.598-0.6340.61140.22540.5263-0.1058-0.0180.10890.0140.553852.07097.137383.7445
141.18720.0261.46552.27723.12167.47330.19770.17550.11590.10230.10170.13710.3311-0.6435-0.29940.68280.11840.0490.75420.27320.724836.743717.809365.0901
156.6101-4.85197.03928.7104-0.875111.09-0.19130.33-0.1507-0.54090.11260.3309-0.85710.64220.07870.7661-0.00430.03850.04550.03180.700146.365524.201963.5863
167.4515-1.84050.25673.09542.59984.6136-0.2307-0.81350.2719-0.03460.1714-0.1702-0.4356-0.09160.05931.1095-0.1324-0.10240.12370.06050.845552.210138.455278.3779
172.9771-0.13020.23714.6261-2.77044.66310.0535-0.05240.33340.06480.10940.3637-0.2753-0.4855-0.16280.32060.07230.040.0787-0.04930.285927.39-5.148288.5147
187.4505-3.58970.85057.87830.98110.4220.0549-0.3484-0.0795-0.04620.0862-0.3983-0.0049-0.009-0.14110.2908-0.045-0.07410.4498-0.02240.246543.2098-18.2532104.9633
1916.2843-6.59498.34852.8009-2.82526.8703-0.0149-0.12550.07850.01510.03550.0029-0.02140.0177-0.02060.4209-0.02460.06450.3275-0.04610.261932.8411-22.7855108.2766
205.8756-0.5361-0.14075.57941.18384.50710.076-0.08330.69790.87650.17960.5472-0.7712-0.0258-0.25560.62290.0720.22730.0326-0.04850.40118.637-10.4832118.4456
215.0526-1.4764-1.5883.18780.9763.0193-0.0075-0.32620.03260.33090.0544-0.2021-0.08050.4218-0.04680.25350.0111-0.04180.20650.00340.140348.5496-25.760695.4219
2211.4285-6.31433.85028.4722-2.80761.40080.13770.08430.54840.2581-0.2992-0.25430.0095-0.00360.16150.3286-0.00570.0560.4925-0.00750.342826.1403-12.506299.4846
2310.2551-3.5536-5.38953.7524-1.97218.70120.3144-0.30650.3730.0803-0.3183-0.2225-0.41360.75490.00390.4958-0.07080.03420.2436-0.10630.305532.7061-8.1423108.3079
246.80721.49531.22285.0824-1.37415.7512-0.0756-0.6594-0.06420.83330.15620.10110.14750.6856-0.08060.47980.08870.07590.3732-0.05620.0437.5654-20.4674124.9519
253.5621-0.4843-1.56953.99721.3162.3893-0.18990.1316-0.1596-0.0663-0.16230.36450.0994-0.52110.35220.2524-0.03570.00630.145-0.04110.310131.0007-37.76776.9366
267.58533.9886-2.89622.142-1.77862.6845-0.10040.1166-0.372-0.09330.0429-0.18660.24320.26310.05760.3980.04880.01270.3838-0.01670.381954.1979-48.568670.5911
2715.5804-1.4194-1.34618.73081.68820.40230.2716-0.10620.3888-0.2338-0.25830.0881-0.0405-0.0408-0.01330.4514-0.01660.04840.33910.0360.293447.0192-54.933563.5437
284.6775-0.28890.53032.9676-1.35085.0639-0.5371-0.065-0.30750.20170.07460.23730.5103-0.40350.46250.4649-0.0710.22430.0366-0.02930.497433.592-69.154972.2103
293.9703-0.0144-1.51293.8615-1.3942.6967-0.1724-0.22-0.08580.1297-0.1379-0.3538-0.10230.39580.31040.31270.0072-0.0130.06430.01370.315858.3802-37.747164.0215
308.8392-3.9724-2.76011.88721.7093.07370.12520.129-0.41310.0087-0.080.14980.2169-0.2746-0.04520.3746-0.0555-0.01690.3744-0.00730.378635.2247-48.57770.3231
3114.31043.8467-1.0619.438-1.92780.4020.2062-0.18840.36270.2377-0.1966-0.0405-0.02330.0407-0.00960.4423-0.00660.04360.3616-0.06330.297142.3886-54.962877.4134
325.1273-0.9038-0.66533.61871.61554.3432-0.3810.1155-0.2389-0.02120.0592-0.27750.5460.29740.32180.47050.04930.1960.02890.05280.467255.8041-69.155768.633
333.9755-0.58080.4313.3726-1.1186.93490.0935-0.0008-0.1506-0.17610.0013-0.44680.41940.4645-0.09480.21170.04470.00280.03970.01850.3536-0.8427-36.00291.9818
3414.9681-2.47991.34492.0941.13471.22730.0528-0.2580.0031-0.3545-0.02440.0409-0.2849-0.0649-0.02840.4552-0.068-0.02040.22170.03830.3913-14.2073-18.5562-12.5679
354.8515-4.5699-0.07577.7687-2.95192.64070.19770.0264-0.7206-0.4307-0.14210.75110.21050.1154-0.05560.3487-0.07820.00030.28970.09680.4114-9.6198-25.3088-21.2539
364.1924-1.6566-2.94846.3071-0.13614.4228-0.00570.00950.130.01550.1074-0.364-0.35271.0809-0.10170.2203-0.26990.00840.65570.00620.294411.3865-24.9168-25.0118
376.3620.419-1.43723.9018-0.62523.77220.01080.13570.5806-0.0945-0.00390.2157-0.3733-0.0396-0.00690.31980.0107-0.02120.01480.05980.2721-26.1002-23.3115-9.0577
3812.6138-10.08684.655610.0349-3.50011.7683-0.0232-0.00170.1831-0.46570.0343-0.3854-0.04820.0939-0.01120.36780.02690.04790.4514-0.02190.3248-1.3857-32.3562-10.6806
3920.7123-10.1828-5.74158.0818-0.5555.55010.3346-0.75420.0745-0.30960.22780.4057-0.27120.341-0.56240.5207-0.0787-0.00690.36290.00310.28530.6224-20.627-11.7727
405.5469-1.85260.09384.35071.35867.71290.07870.74540.5976-0.17470.32770.1641-0.5986-0.2539-0.40640.4041-0.13620.04520.33830.26270.3376-5.2367-10.666-29.6134
416.45360.26960.38922.8058-0.10273.5829-0.16560.22-0.4374-0.122-0.0512-0.40450.3814-0.1330.21680.3453-0.02670.06780.0161-0.02860.2746-29.8746-51.2365-9.8561
421.575-1.5305-3.91894.76863.55179.7802-0.07840.13590.03550.21320.19760.30720.1302-0.3578-0.11920.32790.0239-0.00280.35-0.00990.3443-54.0805-42.2776-4.7772
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444.04920.3532-0.83733.1117-1.43696.263-0.22630.8085-0.092-0.00320.1169-0.25980.4464-0.1510.10930.2719-0.1760.11480.2878-0.16720.2106-55.0732-62.0315-26.1991
451.2983-0.6967-0.66893.46661.41966.1415-0.16550.08680.10120.21060.1222-0.0229-0.378-0.34170.04330.1769-0.0114-0.04350.0589-0.02860.3233-51.4516-40.19618.1361
468.3224-0.3259-3.15222.7436-1.51512.1802-0.27010.27610.2636-0.43020.1094-0.42150.3945-0.1690.16070.4491-0.03720.03410.3376-0.04070.3788-42.3376-55.7843-11.0119
479.8628-1.21374.6859.12878.216910.8371-0.0828-0.60040.0313-0.62410.4284-0.3633-0.65840.0571-0.34560.349-0.07530.110.25150.03590.2861-48.82-48.2042-17.509
484.87760.69390.13344.78320.50245.0644-0.12050.4179-0.122-0.0115-0.05710.2180.2031-0.95220.17750.1288-0.09340.01230.4136-0.09170.1914-70.1635-48.7149-16.2414
491.5583-0.45131.03753.09850.72395.9837-0.0532-0.0416-0.3459-0.0076-0.0633-0.05820.680.39060.11650.3290.02590.12050.06750.10170.3518-38.4781-60.482722.6482
502.01581.99031.79227.98532.66911.8375-0.02390.0776-0.1950.0770.4515-0.36850.03680.2858-0.42760.49660.07710.0310.6806-0.09030.6698-44.6527-43.1141.4495
514.90411.9381-0.8371.95623.34711.5848-0.0534-0.12760.1114-0.0296-0.21120.09790.0677-0.36940.26460.3328-0.02190.01640.41760.10850.2853-40.5872-51.927448.1798
525.4419-1.03031.79925.75750.69644.0689-0.1586-0.4134-0.90330.3029-0.1330.4571.07730.02550.29160.7468-0.01890.3060.31440.23170.3815-51.8846-69.927949.9938
535.26281.3035-0.75715.2462-0.37081.32-0.0992-0.36580.4790.2141-0.07370.3938-0.11010.17920.1730.20370.0548-0.04420.2019-0.0890.1866-34.9984-34.703938.4396
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565.8382-1.9111-0.30252.3755-0.9856.54910.1638-0.47860.13020.4136-0.05580.1330.43760.3072-0.1080.5073-0.02680.00230.42670.0380.4087-54.7192-49.538458.3047
574.72341.7543-0.96924.66420.21932.1501-0.1382-0.3672-0.7028-0.0692-0.1148-0.26370.22810.30280.2530.18110.074-0.08070.20990.08130.2063-9.2779-45.148334.4777
584.767-5.2031-3.453415.1955-3.15337.545-0.0394-0.12990.21250.52370.1329-0.3106-0.33590.0563-0.09350.22310.0196-0.19880.4689-0.07560.303-4.8873-19.100233.7586
592.8252-1.25661.8811.71043.67443.0777-0.10520.24030.13320.44670.2005-0.54960.07340.2641-0.09530.30860.0156-0.14410.5130.02930.39296.3542-22.983333.1346
605.79230.6282-1.29262.0985-1.59166.95760.4247-0.3808-0.79920.3023-0.4255-0.021-0.1566-0.09090.00070.2866-0.0947-0.32180.2946-0.00130.466915.12-32.373950.1604
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755.28097.61842.454724.90241.2841.5123-0.2005-0.7425-0.12870.04460.28650.1686-0.1764-0.5838-0.08590.27980.069-0.13830.52430.00980.2962-83.3273-23.1332107.6255
764.05351.11440.29511.04150.54567.02850.43870.3624-0.8421-0.2233-0.22480.1382-0.13130.5193-0.21390.38430.1388-0.41470.4252-0.08470.6391-92.1183-32.520590.6889
773.12330.6894-0.00292.57280.79436.77-0.00750.29440.3920.0538-0.02960.1485-0.95510.24380.03710.2815-0.0702-0.14860.14940.1020.2293-67.4194-17.8652119.4481
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1256.28960.52691.63192.0290.70293.1169-0.3180.86240.0373-0.37090.1921-0.0310.0481-0.07250.1260.5576-0.2150.22040.2362-0.1640.359377.882-84.716-6.1576
1261.2854-0.09423.78798.27562.952912.5865-0.10930.19690.08140.1266-0.0244-0.2267-0.02950.61350.13370.43970.02520.12420.2452-0.01990.497298.2218-87.679810.5056
1279.503-6.11292.78884.534-3.90838.3855-0.3772-0.22340.05410.22880.1825-0.1073-0.278-0.0870.19470.4661-0.04670.13170.2551-0.12690.4406103.2579-80.77862.341
1281.5795-0.90820.55686.3090.6175.0097-0.03650.7235-0.2847-0.35680.1194-0.11710.58990.0724-0.0830.7602-0.12270.31560.4272-0.30060.7365107.5226-88.453-17.0012
1295.3543-0.02840.8161.72510.4166.0078-0.28280.2611-1.1063-0.10090.0036-0.02520.43390.31080.27920.6810.24070.34330.16550.23840.967921.121-103.7961128.253
13013.59447.7756-2.24424.5469-0.379710.55310.11810.05140.11780.1360.12910.11710.18460.0864-0.24720.31890.28490.00050.44450.28710.436542.4072-98.5012142.979
1314.3610.66257.19855.1069-4.328617.8429-0.3544-0.1748-0.66930.0040.2472-1.0391-0.7012-0.49430.10720.3860.29020.04170.51880.26510.771646.6918-107.2244136.3173
1322.70522.15311.57622.15492.57975.35710.2385-0.174-0.22030.2302-0.07470.0070.52240.0872-0.16380.92640.48280.26610.36620.48451.327639.7342-127.1561139.1244
1334.6080.9547-0.14315.82-0.21944.1264-0.0017-0.9268-0.15730.6257-0.2051-0.1694-0.22970.7450.20670.56990.17610.00980.59380.42160.630244.7355-86.7309137.0242
13410.6025-0.38932.97094.05935.64489.03650.28620.172-0.0762-0.6003-0.0373-0.1828-0.66410.039-0.24880.56140.17770.21650.12860.20550.520932.9167-109.5111130.9846
13513.6771-2.9426-0.86397.24731.25390.27210.4224-0.3405-0.5401-0.4461-0.5166-0.2595-0.1599-0.03420.09420.67290.22710.13010.24040.32770.577134.0899-110.8881142.6281
1363.1470.1920.11083.89863.18562.63020.3490.29540.42930.7030.142-0.7790.57050.1982-0.4910.87890.47880.09360.57290.62121.118353.4809-113.7993151.1725
1372.74062.0253-2.19116.354-0.54551.9953-0.4254-0.005-0.3072-0.18940.1371-0.07440.37830.06060.28820.30510.10390.11810.13370.1360.469844.0925-86.1293108.9458
1383.9037-2.87641.92118.13348.30927.0791-0.1287-0.19470.263-0.1755-0.13970.0998-0.18150.12110.26840.26870.0464-0.05230.73430.04860.364852.9597-62.0095114.8238
1393.76381.70191.43091.66763.992313.5313-0.1117-0.10910.2560.0745-0.0980.23410.46860.1110.20970.13420.0265-0.04090.44160.03120.5353.9866-61.7796102.9742
1404.4673-2.42751.30082.65320.70876.25130.06810.3706-0.0682-0.1694-0.3046-0.60610.73420.38580.23650.24970.10160.20310.26310.2210.642568.7819-73.712493.4012
1415.6604-1.1712-1.74432.58670.51023.2597-0.0139-0.51120.27170.2057-0.0234-0.3147-0.19020.21930.03740.1170.0286-0.01120.1990.07590.286141.0447-57.4059118.4547
1420.6716-2.1263-2.166224.92169.98647.8276-0.1355-0.1614-0.07730.04050.208-0.04890.12420.466-0.07250.29550.0430.14050.42770.02850.426350.5771-76.4567102.9367
14312.5928-1.2518-4.55462.89364.6197.9728-0.479-0.34190.23120.51670.2670.15240.84270.6130.21190.2967-0.02880.01630.39140.17740.341460.4484-73.5998108.8026
1443.82172.7905-1.54566.4067-1.09296.1751-0.1743-0.30720.80650.11260.0881-0.7573-0.63480.09340.08620.5026-0.01770.06180.40130.0130.955869.7279-54.8113105.3576
1455.3197-0.289-1.44993.35380.85593.9881-0.02850.5155-0.3225-0.0927-0.0970.07760.0557-0.07960.12550.29980.03220.04890.06890.02860.275119.3481-62.5782101.335
1463.59531.8549-4.12030.9638-2.230610.54380.0355-0.15750.570.0115-0.03920.2840.2801-0.0450.00370.3932-0.0050.02360.3350.04210.40098.8387-46.0823118.9638
1474.6133-6.13570.32938.164-0.38435.3712-0.05940.2743-0.18050.0895-0.33460.25020.1458-0.05940.3940.3465-0.02960.07910.37290.0510.3353-0.1839-46.7651111.2623
1482.64880.6473-0.73584.7987-1.65045.66430.14550.55740.3958-0.23570.0697-0.1693-0.1023-0.0919-0.21520.23570.12870.11760.28440.15960.31261.7513-37.680991.9861
1494.25641.0532-1.54473.9237-0.70733.60980.1263-0.10460.08950.3748-0.1812-0.0057-0.06150.21480.05490.29780.04220.0340.05260.08780.28447.68-55.5355128.2231
1508.1006-2.6195-5.05663.30734.69356.96140.07190.56860.3203-0.07150.1188-0.0785-0.08070.0473-0.19070.47630.01420.00730.34140.04620.48938.8523-54.4447101.9216
1510.7792-1.34921.86145.43492.615115.4843-0.05470.0949-0.0130.2260.13760.02450.02510.7387-0.08290.33470.00720.03580.37250.05120.368612.4105-43.3635104.6219
1524.36240.2875-1.19343.34020.02033.67090.18190.11320.44250.19990.08030.2351-0.1927-0.4145-0.26210.36230.10.14630.08910.10470.3966-1.717-29.4001112.6568
1532.28091.177-1.9944.9389-0.59755.1227-0.21370.2693-0.3894-0.272-0.033-0.06930.2681-0.45190.24670.3497-0.02910.14520.0555-0.00530.4621-3.5504-80.1698120.6204
1547.98940.64863.59846.86251.9943.97840.26-0.7937-0.17210.1033-0.3446-0.00980.6562-0.67350.08460.39220.00110.15170.40090.15390.3908-1.6791-82.689146.7769
1557.587-2.42765.85347.60433.560311.2312-0.42380.00160.0410.22120.19510.25370.5538-0.89210.22880.5545-0.20320.18880.55550.14740.7019-7.7673-92.5737144.259
1567.7167-3.322-0.27555.13832.26737.6928-0.25930.2499-0.5746-0.02960.13080.6650.1706-1.25080.12850.2621-0.17870.19360.47630.17840.7474-27.9731-91.1553137.7137
1576.5309-0.93251.56952.7634-1.40273.6599-0.309-0.9364-0.04650.30420.162-0.2680.00330.1750.1470.4460.14720.19290.31150.22830.465811.241-85.0821146.7641
15814.26391.54378.52844.4194-1.371918.0809-0.77380.03510.05-0.2410.0450.14390.2229-0.13510.72890.311300.08890.13770.00220.4818-9.069-87.688130.1676
1596.06573.29312.87472.67854.00488.1861-0.46910.10210.6123-0.06280.1470.37930.0920.27460.32210.47330.02070.09860.230.11540.4902-13.9673-80.7723138.4422
1600.9370.27180.23345.8352-0.11115.0803-0.0926-0.723-0.41210.32210.1848-0.18360.604-0.2444-0.09220.73640.07230.29530.58590.30350.8581-18.324-88.5425157.6844
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A116 - 230
2X-RAY DIFFRACTION2A231 - 245
3X-RAY DIFFRACTION3A246 - 259
4X-RAY DIFFRACTION4A260 - 336
5X-RAY DIFFRACTION5a116 - 230
6X-RAY DIFFRACTION6a231 - 245
7X-RAY DIFFRACTION7a246 - 259
8X-RAY DIFFRACTION8a260 - 336
9X-RAY DIFFRACTION9B116 - 230
10X-RAY DIFFRACTION10B231 - 245
11X-RAY DIFFRACTION11B246 - 259
12X-RAY DIFFRACTION12B260 - 336
13X-RAY DIFFRACTION13b116 - 230
14X-RAY DIFFRACTION14b231 - 245
15X-RAY DIFFRACTION15b246 - 259
16X-RAY DIFFRACTION16b260 - 336
17X-RAY DIFFRACTION17C116 - 230
18X-RAY DIFFRACTION18C231 - 245
19X-RAY DIFFRACTION19C246 - 259
20X-RAY DIFFRACTION20C260 - 336
21X-RAY DIFFRACTION21c116 - 230
22X-RAY DIFFRACTION22c231 - 245
23X-RAY DIFFRACTION23c246 - 259
24X-RAY DIFFRACTION24c260 - 336
25X-RAY DIFFRACTION25D116 - 230
26X-RAY DIFFRACTION26D231 - 245
27X-RAY DIFFRACTION27D246 - 259
28X-RAY DIFFRACTION28D260 - 336
29X-RAY DIFFRACTION29d116 - 230
30X-RAY DIFFRACTION30d231 - 245
31X-RAY DIFFRACTION31d246 - 259
32X-RAY DIFFRACTION32d260 - 336
33X-RAY DIFFRACTION33E116 - 230
34X-RAY DIFFRACTION34E231 - 245
35X-RAY DIFFRACTION35E246 - 259
36X-RAY DIFFRACTION36E260 - 336
37X-RAY DIFFRACTION37e116 - 230
38X-RAY DIFFRACTION38e231 - 245
39X-RAY DIFFRACTION39e246 - 259
40X-RAY DIFFRACTION40e260 - 336
41X-RAY DIFFRACTION41F116 - 230
42X-RAY DIFFRACTION42F231 - 245
43X-RAY DIFFRACTION43F246 - 259
44X-RAY DIFFRACTION44F260 - 336
45X-RAY DIFFRACTION45f116 - 230
46X-RAY DIFFRACTION46f231 - 245
47X-RAY DIFFRACTION47f246 - 259
48X-RAY DIFFRACTION48f260 - 336
49X-RAY DIFFRACTION49G116 - 230
50X-RAY DIFFRACTION50G231 - 245
51X-RAY DIFFRACTION51G246 - 259
52X-RAY DIFFRACTION52G260 - 336
53X-RAY DIFFRACTION53g116 - 230
54X-RAY DIFFRACTION54g231 - 245
55X-RAY DIFFRACTION55g246 - 259
56X-RAY DIFFRACTION56g260 - 336
57X-RAY DIFFRACTION57H116 - 230
58X-RAY DIFFRACTION58H231 - 245
59X-RAY DIFFRACTION59H246 - 259
60X-RAY DIFFRACTION60H260 - 336
61X-RAY DIFFRACTION61h116 - 230
62X-RAY DIFFRACTION62h231 - 245
63X-RAY DIFFRACTION63h246 - 259
64X-RAY DIFFRACTION64h260 - 336
65X-RAY DIFFRACTION65I116 - 230
66X-RAY DIFFRACTION66I231 - 245
67X-RAY DIFFRACTION67I246 - 259
68X-RAY DIFFRACTION68I260 - 336
69X-RAY DIFFRACTION69i116 - 230
70X-RAY DIFFRACTION70i231 - 245
71X-RAY DIFFRACTION71i246 - 259
72X-RAY DIFFRACTION72i260 - 336
73X-RAY DIFFRACTION73J116 - 230
74X-RAY DIFFRACTION74J231 - 245
75X-RAY DIFFRACTION75J246 - 259
76X-RAY DIFFRACTION76J260 - 336
77X-RAY DIFFRACTION77j116 - 230
78X-RAY DIFFRACTION78j231 - 245
79X-RAY DIFFRACTION79j246 - 259
80X-RAY DIFFRACTION80j260 - 336
81X-RAY DIFFRACTION81K116 - 230
82X-RAY DIFFRACTION82K231 - 245
83X-RAY DIFFRACTION83K246 - 259
84X-RAY DIFFRACTION84K260 - 336
85X-RAY DIFFRACTION85k116 - 230
86X-RAY DIFFRACTION86k231 - 245
87X-RAY DIFFRACTION87k246 - 259
88X-RAY DIFFRACTION88k260 - 336
89X-RAY DIFFRACTION89L116 - 230
90X-RAY DIFFRACTION90L231 - 245
91X-RAY DIFFRACTION91L246 - 259
92X-RAY DIFFRACTION92L260 - 336
93X-RAY DIFFRACTION93l116 - 230
94X-RAY DIFFRACTION94l231 - 245
95X-RAY DIFFRACTION95l246 - 259
96X-RAY DIFFRACTION96l260 - 336
97X-RAY DIFFRACTION97M116 - 230
98X-RAY DIFFRACTION98M231 - 245
99X-RAY DIFFRACTION99M246 - 259
100X-RAY DIFFRACTION100M260 - 336
101X-RAY DIFFRACTION101m116 - 230
102X-RAY DIFFRACTION102m231 - 245
103X-RAY DIFFRACTION103m246 - 259
104X-RAY DIFFRACTION104m260 - 336
105X-RAY DIFFRACTION105N116 - 230
106X-RAY DIFFRACTION106N231 - 245
107X-RAY DIFFRACTION107N246 - 259
108X-RAY DIFFRACTION108N260 - 336
109X-RAY DIFFRACTION109n116 - 230
110X-RAY DIFFRACTION110n231 - 245
111X-RAY DIFFRACTION111n246 - 259
112X-RAY DIFFRACTION112n260 - 336
113X-RAY DIFFRACTION113O116 - 230
114X-RAY DIFFRACTION114O231 - 245
115X-RAY DIFFRACTION115O246 - 259
116X-RAY DIFFRACTION116O260 - 336
117X-RAY DIFFRACTION117o116 - 230
118X-RAY DIFFRACTION118o231 - 245
119X-RAY DIFFRACTION119o246 - 259
120X-RAY DIFFRACTION120o260 - 336
121X-RAY DIFFRACTION121P116 - 230
122X-RAY DIFFRACTION122P231 - 245
123X-RAY DIFFRACTION123P246 - 259
124X-RAY DIFFRACTION124P260 - 336
125X-RAY DIFFRACTION125p116 - 230
126X-RAY DIFFRACTION126p231 - 245
127X-RAY DIFFRACTION127p246 - 259
128X-RAY DIFFRACTION128p260 - 336
129X-RAY DIFFRACTION129Q116 - 230
130X-RAY DIFFRACTION130Q231 - 245
131X-RAY DIFFRACTION131Q246 - 259
132X-RAY DIFFRACTION132Q260 - 336
133X-RAY DIFFRACTION133q116 - 230
134X-RAY DIFFRACTION134q231 - 245
135X-RAY DIFFRACTION135q246 - 259
136X-RAY DIFFRACTION136q260 - 336
137X-RAY DIFFRACTION137R116 - 230
138X-RAY DIFFRACTION138R231 - 245
139X-RAY DIFFRACTION139R246 - 259
140X-RAY DIFFRACTION140R260 - 336
141X-RAY DIFFRACTION141r116 - 230
142X-RAY DIFFRACTION142r231 - 245
143X-RAY DIFFRACTION143r246 - 259
144X-RAY DIFFRACTION144r260 - 336
145X-RAY DIFFRACTION145S116 - 230
146X-RAY DIFFRACTION146S231 - 245
147X-RAY DIFFRACTION147S246 - 259
148X-RAY DIFFRACTION148S260 - 336
149X-RAY DIFFRACTION149s116 - 230
150X-RAY DIFFRACTION150s231 - 245
151X-RAY DIFFRACTION151s246 - 259
152X-RAY DIFFRACTION152s260 - 336
153X-RAY DIFFRACTION153T116 - 230
154X-RAY DIFFRACTION154T231 - 245
155X-RAY DIFFRACTION155T246 - 259
156X-RAY DIFFRACTION156T260 - 336
157X-RAY DIFFRACTION157t116 - 230
158X-RAY DIFFRACTION158t231 - 245
159X-RAY DIFFRACTION159t246 - 259
160X-RAY DIFFRACTION160t260 - 336

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