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- PDB-3kwe: Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhyd... -

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Basic information

Entry
Database: PDB / ID: 3kwe
TitleInactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 2
ComponentsCarbon dioxide concentrating mechanism protein
KeywordsLYASE / PROTEIN BINDING / PHOTOSYNTHESIS / left-handed beta helix / gamma carbonic anhydrase / disulfide bond dependent activity / carboxysome
Function / homology
Function and homology information


structural constituent of carboxysome shell / carboxysome / carbon fixation / photosynthesis / carbonic anhydrase / carbonate dehydratase activity / zinc ion binding
Similarity search - Function
Carboxysome assembly protein CcmM / : / Ribulose bisphosphate carboxylase small subunit, domain / Ribulose bisphosphate carboxylase, small subunit superfamily / Ribulose bisphosphate carboxylase, small chain / Ribulose bisphosphate carboxylase, small chain / Hexapeptide repeat proteins / UDP N-Acetylglucosamine Acyltransferase; domain 1 / Bacterial transferase hexapeptide (six repeats) / Trimeric LpxA-like superfamily ...Carboxysome assembly protein CcmM / : / Ribulose bisphosphate carboxylase small subunit, domain / Ribulose bisphosphate carboxylase, small subunit superfamily / Ribulose bisphosphate carboxylase, small chain / Ribulose bisphosphate carboxylase, small chain / Hexapeptide repeat proteins / UDP N-Acetylglucosamine Acyltransferase; domain 1 / Bacterial transferase hexapeptide (six repeats) / Trimeric LpxA-like superfamily / 3 Solenoid / Mainly Beta
Similarity search - Domain/homology
HEXANE-1,6-DIOL / Carboxysome assembly protein CcmM
Similarity search - Component
Biological speciesThermosynechococcus elongatus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.1 Å
AuthorsKimber, M.S. / Castel, S.E. / Pena, K.L.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2010
Title: Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM.
Authors: Pena, K.L. / Castel, S.E. / de Araujo, C. / Espie, G.S. / Kimber, M.S.
History
DepositionDec 1, 2009Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 23, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Advisory / 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_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.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_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_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: Carbon dioxide concentrating mechanism protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,3616
Polymers23,0821
Non-polymers2795
Water3,477193
1
A: Carbon dioxide concentrating mechanism protein
hetero molecules

A: Carbon dioxide concentrating mechanism protein
hetero molecules

A: Carbon dioxide concentrating mechanism protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)70,08218
Polymers69,2463
Non-polymers83615
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Buried area6230 Å2
ΔGint-156 kcal/mol
Surface area18480 Å2
MethodPISA
Unit cell
Length a, b, c (Å)102.931, 102.931, 44.903
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number146
Space group name H-MH3
Components on special symmetry positions
IDModelComponents
11A-195-

CL

21A-197-

MG

31A-239-

HOH

41A-312-

HOH

51A-357-

HOH

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Components

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Protein , 1 types, 1 molecules A

#1: Protein Carbon dioxide concentrating mechanism protein


Mass: 23081.900 Da / Num. of mol.: 1
Fragment: N-terminal, gamma-carbonic anhydrase domain of CcmM, inactive truncation construct delta193 (UNP residues 1-193)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermosynechococcus elongatus (bacteria)
Strain: BP-1 / Gene: ccmM, tll0944 / Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta / References: UniProt: Q8DKB5, carbonic anhydrase

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Non-polymers , 5 types, 198 molecules

#2: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Zn
#3: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#4: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Mg
#5: Chemical ChemComp-HEZ / HEXANE-1,6-DIOL


Mass: 118.174 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O2
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 193 / 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: 1.98 Å3/Da / Density % sol: 37.98 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.6
Details: 0.01M cobalt (II) chloride, 0.1M sodium acetate, 1.0 M 1,6-hexanediol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.9184 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 18, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
ReflectionResolution: 1.1→40 Å / Num. obs: 65832 / % possible obs: 91.4 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 5.7 % / Biso Wilson estimate: 9.4 Å2 / Rmerge(I) obs: 0.066 / Net I/σ(I): 9.7
Reflection shellResolution: 1.1→1.12 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.294 / Mean I/σ(I) obs: 4.1 / Num. unique all: 2304 / % possible all: 64.2

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
MOLREPphasing
REFMAC5.2.0019refinement
HKL-3000data reduction
HKL-3000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 3KWD

3kwd


Resolution: 1.1→26.95 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.977 / SU B: 0.463 / SU ML: 0.013 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Isotropic + TLS / Cross valid method: THROUGHOUT / σ(F): -999 / σ(I): -999 / ESU R: 0.025 / ESU R Free: 0.026 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.13947 3296 5 %RANDOM
Rwork0.1289 ---
all0.12994 62300 --
obs0.12944 62300 91.09 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 11.452 Å2
Baniso -1Baniso -2Baniso -3
1--0.07 Å2-0.04 Å20 Å2
2---0.07 Å20 Å2
3---0.11 Å2
Refine analyze
FreeObs
Luzzati coordinate error0.026 Å0.025 Å
Refinement stepCycle: LAST / Resolution: 1.1→26.95 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms1266 0 12 193 1471
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0080.0221400
X-RAY DIFFRACTIONr_bond_other_d0.0020.02936
X-RAY DIFFRACTIONr_angle_refined_deg1.4111.9361912
X-RAY DIFFRACTIONr_angle_other_deg0.86632311
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.5835169
X-RAY DIFFRACTIONr_dihedral_angle_2_deg32.72924.50771
X-RAY DIFFRACTIONr_dihedral_angle_3_deg11.70515235
X-RAY DIFFRACTIONr_dihedral_angle_4_deg13.336159
X-RAY DIFFRACTIONr_chiral_restr0.0840.2221
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.021542
X-RAY DIFFRACTIONr_gen_planes_other0.0010.02266
X-RAY DIFFRACTIONr_nbd_refined0.2080.2281
X-RAY DIFFRACTIONr_nbd_other0.1960.21030
X-RAY DIFFRACTIONr_nbtor_refined0.1740.2709
X-RAY DIFFRACTIONr_nbtor_other0.080.2740
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1030.2118
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.1930.213
X-RAY DIFFRACTIONr_symmetry_vdw_other0.3060.257
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.1070.226
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.5681.51104
X-RAY DIFFRACTIONr_mcbond_other0.1261.5341
X-RAY DIFFRACTIONr_mcangle_it0.68221409
X-RAY DIFFRACTIONr_scbond_it1.1543615
X-RAY DIFFRACTIONr_scangle_it1.6154.5500
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 1.1→1.129 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.139 165 -
Rwork0.133 3311 -
obs-3476 64.85 %
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)
117.8642-7.7754-1.866923.8243-2.54866.2030.2018-0.24930.72570.17140.3820.5922-0.8695-0.4761-0.58380.0980.01720.05250.1502-0.02270.0806-17.5302-10.65571.2847
217.8165-13.78532.394415.56661.07492.07080.13780.008-0.1683-0.0783-0.16250.11380.095-0.25250.02470.0422-0.00410.0078-0.00370.0186-0.0647-11.9311-16.7573-0.4078
314.1262-5.5832-4.68254.75183.36462.8502-0.0344-0.3057-0.17310.2345-0.0763-0.04020.12020.08660.11070.0343-0.009-0.0191-0.05130.0336-0.0156-5.7147-23.96080.3732
42.61534.04680.48729.21495.98392.72240.223-0.1846-0.1640.3785-0.066-0.77050.07330.1462-0.15710.0264-0.0345-0.03-0.02210.0372-0.0161-0.7324-16.8963-1.4984
515.64537.33891.789729.51563.5877.354-0.0519-0.49910.36470.4565-0.0028-0.2707-0.19470.2770.05470.0109-0.0234-0.02390.00630.0003-0.03081.3941-8.26740.5401
612.56556.11570.68714.2863-0.43995.22510.1384-0.1836-0.079-0.0335-0.0083-0.0735-0.0141-0.0185-0.13-0.0136-0.0134-0.0014-0.03690.0035-0.0524-6.0989-7.7018-2.4375
719.60158.31035.32827.98565.42556.85670.039-0.41530.62540.1255-0.1050.4008-0.0602-0.1260.066-0.0353-0.00790.0096-0.0205-0.0157-0.0239-14.8534-9.9365-2.7722
87.0646-6.0755-0.25335.79490.48991.66630.0447-0.0505-0.23910.1039-0.1070.06910.0873-0.14160.0623-0.027-0.01540.0003-0.03140.0087-0.0515-13.6564-17.101-5.4412
98.4867-4.5424-0.05555.3293-2.51785.6864-0.03210.0269-0.3734-0.08460.01150.13280.2427-0.1050.02060.0037-0.0168-0.0131-0.06920.0144-0.0094-5.7694-24.5296-5.7262
103.05536.3824-0.331124.00716.70085.15550.0789-0.1383-0.18470.15930.0014-0.48850.15590.1191-0.0802-0.0287-0.0077-0.0215-0.06020.0285-0.0365-1.0048-16.747-6.2057
115.1679-0.96960.5356.9403-2.65462.40070.0128-0.05680.09630.0086-0.0389-0.2445-0.02610.05550.0261-0.0511-0.0169-0.0077-0.04150.0042-0.03512.0946-8.3859-5.1337
1217.1133.1772-2.22553.8881-2.58062.3687-0.00080.0560.05510.0039-0.00910.03070.0357-0.03230.0099-0.0565-0.0034-0.0065-0.0505-0.0068-0.066-5.5773-7.3079-7.2316
137.4133-4.00390.06614.77052.17136.33720.2053-0.10690.36610.1738-0.1867-0.1559-0.2947-0.1206-0.0186-0.0363-0.00830.0137-0.0350.00110.005-13.4459-4.5219-6.1281
144.86070.73381.503413.22942.2853.8608-0.04030.05980.296-0.13090.05320.2634-0.2139-0.1049-0.0128-0.04150.00740.0035-0.0014-0.01180.0032-18.7975-6.0782-9.247
154.0973-1.0606-0.39614.11412.36552.2850.0177-0.0739-0.09750.0753-0.03920.13690.112-0.09640.0215-0.0495-0.0177-0.005-0.04370.0042-0.0492-15.1487-14.6883-9.7215
167.6627-10.9731-0.681517.78961.37993.1261-0.0071-0.0611-0.13590.13280.0676-0.01940.1551-0.0264-0.0605-0.0354-0.0152-0.0088-0.06440.0105-0.0339-7.8252-20.5405-10.0192
176.56778.6048-2.957118.09850.84385.229-0.1167-0.2037-0.63820.3353-0.1487-0.9550.35690.18980.2654-0.00480.011-0.0014-0.04460.01890.0162-1.5362-22.2058-10.6762
183.30080.5221-0.09665.8590.15150.23120.0963-0.06460.01960.141-0.0285-0.11880.07880.0463-0.0678-0.0478-0.0113-0.0125-0.05190.0068-0.05061.1022-10.9201-10.7589
1917.0228-0.86532.02710.2209-0.31552.5657-0.0825-0.09960.25640.04390.0499-0.0295-0.09110.02070.0327-0.0589-0.0028-0.0083-0.06020.0026-0.0569-2.8919-5.712-11.9737
2010.2291-1.6593-1.74392.10442.09873.43690.0331-0.0315-0.08490.04250.0210.1599-0.09840.0408-0.0541-0.0607-0.0148-0.0057-0.04640.0004-0.0541-11.7409-6.0943-11.7733
2129.8281.8863-3.694115.2726-0.1857.5869-0.1194-0.33540.31230.0701-0.00450.8412-0.1979-0.45830.1239-0.03910.0316-0.01990.0065-0.02360.0463-22.1402-4.2871-14.228
224.7985-4.4773-2.129913.19853.9355.9266-0.0510.03380.1047-0.040.04790.3342-0.0113-0.25380.0031-0.0601-0.0157-0.0199-0.0047-0.0071-0.0075-21.5318-11.5425-15.8524
238.228-9.26034.453715.3668-4.50835.0590.0470.1516-0.4209-0.06430.0845-0.0410.1742-0.0836-0.1315-0.0368-0.0332-0.0197-0.0153-0.02170.0222-18.9185-21.3114-16.9272
247.2736-2.5443-2.010410.74431.71843.61020.0414-0.2822-0.50280.3986-0.10680.01530.1948-0.17480.0654-0.0177-0.0469-0.0207-0.00090.00410.0274-21.4669-22.4134-12.4636
256.04641.4593-1.33465.14051.79131.61-0.05470.0584-0.0322-0.0328-0.01720.23970.0588-0.25280.0719-0.0585-0.0272-0.0134-0.0209-0.0104-0.0265-20.0829-15.1851-13.0722
266.2742-1.3440.32190.3643-0.31231.43050.07880.0784-0.2054-0.0702-0.0487-0.08690.0824-0.0367-0.03-0.0483-0.0144-0.012-0.0516-0.0031-0.0446-12.8748-17.0087-14.4243
2711.1027-0.3347-2.04143.88791.95913.09010.04320.0066-0.2739-0.1715-0.0701-0.09150.3792-0.01920.02690.001-0.004-0.0097-0.0597-0.004-0.0155-5.8464-23.285-14.8343
283.14685.48820.649117.56562.10441.7531-0.01740.0639-0.0454-0.1061-0.0777-0.09480.11640.08510.0951-0.0411-0.005-0.0051-0.0539-0.0011-0.0547-2.2443-16.2384-15.8784
292.771-1.40940.1211.3959-1.17224.8075-0.04630.03050.1808-0.06140.0224-0.1208-0.12950.14410.0239-0.0643-0.0131-0.0041-0.049-0.0045-0.04492.557-7.7253-15.4902
309.90853.0905-1.10372.9291-0.41123.9453-0.0918-0.0154-0.094-0.03670.04660.0237-0.0052-0.02980.0452-0.0635-0.002-0.0078-0.0556-0.0059-0.0683-6.2678-7.1237-16.8125
312.44613.74351.60935.89511.73524.8729-0.027-0.01830.1412-0.2189-0.00740.3268-0.0267-0.16340.0344-0.0558-0.0038-0.0207-0.0473-0.0048-0.0334-15.1435-7.098-17.3797
327.1906-6.1563-0.8976.40191.16361.63990.05990.1761-0.0722-0.123-0.09560.01220.17-0.03010.0357-0.0313-0.0113-0.0045-0.0394-0.0047-0.0536-12.6359-16.2407-19.4297
3313.2121-8.9522-3.10026.13331.44067.18340.03580.1241-0.013-0.2367-0.1068-0.01240.4052-0.05920.0710.0031-0.0126-0.0101-0.057-0.0225-0.0187-7.125-22.6044-19.38
341.2230.21040.54326.58042.53792.95690.02130.0546-0.0056-0.09160.0171-0.20230.06350.027-0.0384-0.0293-0.0067-0.0034-0.0387-0.013-0.046-1.1628-16.0555-20.9825
353.62551.1150.39819.27690.84241.1846-0.0779-0.02680.0552-0.23470.0872-0.0761-0.02570.0713-0.0093-0.0498-0.0090.0052-0.0426-0.008-0.06653.0345-6.3181-20.0693
3615.84452.0557-2.76061.6053-0.43481.5572-0.0796-0.0093-0.1009-0.1049-0.02020.01620.0588-0.02610.0998-0.042-0.0074-0.0109-0.041-0.0068-0.0674-5.7563-7.5225-21.7042
373.64910.76320.43449.5113.43849.1236-0.07120.13820.2026-0.14020.10210.3503-0.21-0.2167-0.0309-0.0395-0.0023-0.0166-0.02320.0032-0.0429-14.5821-6.9275-22.2265
3811.0857-6.1828-1.16339.73193.22061.17470.14980.3542-0.5425-0.2921-0.21150.41560.0167-0.1790.06170.0129-0.0096-0.0319-0.0101-0.0215-0.0339-13.1339-17.4209-23.9732
398.30937.0432-6.964511.3417-7.75669.50060.01160.0233-0.4162-0.2055-0.1446-0.01790.16340.02810.1330.0154-0.0105-0.0044-0.0342-0.038-0.0221-5.6993-21.0516-24.7632
403.63055.723-1.697217.95410.81224.0930.01080.0696-0.1174-0.23870.0652-0.43690.20090.0315-0.076-0.0105-0.0003-0.0016-0.0301-0.023-0.04240.2117-14.2639-26.1596
419.37130.7421.54764.29141.32312.2008-0.0195-0.0186-0.0568-0.09820.0343-0.1697-0.00390.0742-0.0148-0.0385-0.00980.0059-0.0361-0.0056-0.06741.6587-6.4388-25.0511
4215.21944.25620.68972.1936-0.80351.6819-0.08680.1310.2243-0.08870.07770.1045-0.1124-0.15320.0091-0.02510.0008-0.0113-0.0167-0.0095-0.0577-9.1031-6.2203-26.3961
434.4658-4.06140.90337.7833.099112.6682-0.02670.2073-0.0577-0.23150.11510.81850.2611-0.1616-0.0884-0.0269-0.0119-0.03870.0342-0.0039-0.0441-15.2236-11.2597-28.3396
4416.3824-19.3592-6.199829.1852.82835.55380.70840.9426-0.5941-0.9604-0.77620.2542-0.1718-0.57330.06780.07630.0183-0.06270.0802-0.08240.0074-10.4614-19.3391-29.2703
459.24453.8651-4.583611.70250.07963.9661-0.1840.3213-0.0909-0.55360.1487-0.05050.07450.00010.03530.0719-0.0073-0.00710.006-0.0404-0.0427-3.1818-18.5083-31.0602
4614.839316.37710.706818.18321.20271.6748-0.19330.3125-0.1571-0.59550.246-0.24060.170.0316-0.05270.0276-0.00880.01260.0069-0.0248-0.05060.6077-11.0094-30.7843
4740.3293-8.69736.932710.3612-10.751811.28980.12630.5010.1288-0.48470.01770.04010.2374-0.0293-0.1440.0144-0.0156-0.00170.0096-0.004-0.0654-2.6178-5.8069-31.2782
4822.50260.36594.85966.49763.62783.941-0.0537-0.12090.2058-0.39680.02230.1262-0.1163-0.00530.03140.0203-0.0145-0.01960.02410.0142-0.0431-10.6659-6.608-32.0884
4910.70421.8967-2.04165.64181.50927.5335-0.15050.46240.295-0.58960.0770.2442-0.1957-0.25080.07350.0655-0.0263-0.04510.04550.0013-0.0401-13.0384-9.9667-36.0984
501.8828-0.9689-2.87594.8217-0.600910.1981-0.060.08120.0112-0.2639-0.0309-0.12030.3531-0.00230.0910.0643-0.0277-0.01180.048-0.0147-0.0369-9.2718-13.36-38.4606
519.4718-8.78975.302620.7597-7.79033.91830.00450.4671-0.1946-0.6305-0.0945-0.15020.47650.17440.08990.1065-0.00090.01770.0679-0.0468-0.0158-3.1157-18.7304-34.0925
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A17 - 19
2X-RAY DIFFRACTION2A20 - 22
3X-RAY DIFFRACTION3A23 - 25
4X-RAY DIFFRACTION4A26 - 28
5X-RAY DIFFRACTION5A29 - 31
6X-RAY DIFFRACTION6A32 - 34
7X-RAY DIFFRACTION7A35 - 37
8X-RAY DIFFRACTION8A38 - 40
9X-RAY DIFFRACTION9A41 - 43
10X-RAY DIFFRACTION10A44 - 46
11X-RAY DIFFRACTION11A47 - 49
12X-RAY DIFFRACTION12A50 - 52
13X-RAY DIFFRACTION13A53 - 55
14X-RAY DIFFRACTION14A56 - 58
15X-RAY DIFFRACTION15A59 - 61
16X-RAY DIFFRACTION16A62 - 64
17X-RAY DIFFRACTION17A65 - 67
18X-RAY DIFFRACTION18A68 - 70
19X-RAY DIFFRACTION19A71 - 73
20X-RAY DIFFRACTION20A74 - 76
21X-RAY DIFFRACTION21A77 - 79
22X-RAY DIFFRACTION22A80 - 82
23X-RAY DIFFRACTION23A83 - 85
24X-RAY DIFFRACTION24A86 - 88
25X-RAY DIFFRACTION25A89 - 91
26X-RAY DIFFRACTION26A92 - 94
27X-RAY DIFFRACTION27A95 - 97
28X-RAY DIFFRACTION28A98 - 100
29X-RAY DIFFRACTION29A101 - 103
30X-RAY DIFFRACTION30A104 - 106
31X-RAY DIFFRACTION31A107 - 109
32X-RAY DIFFRACTION32A110 - 112
33X-RAY DIFFRACTION33A113 - 115
34X-RAY DIFFRACTION34A116 - 118
35X-RAY DIFFRACTION35A119 - 121
36X-RAY DIFFRACTION36A122 - 124
37X-RAY DIFFRACTION37A125 - 127
38X-RAY DIFFRACTION38A128 - 130
39X-RAY DIFFRACTION39A131 - 133
40X-RAY DIFFRACTION40A134 - 136
41X-RAY DIFFRACTION41A137 - 139
42X-RAY DIFFRACTION42A140 - 142
43X-RAY DIFFRACTION43A143 - 145
44X-RAY DIFFRACTION44A146 - 148
45X-RAY DIFFRACTION45A149 - 151
46X-RAY DIFFRACTION46A152 - 154
47X-RAY DIFFRACTION47A155 - 157
48X-RAY DIFFRACTION48A158 - 160
49X-RAY DIFFRACTION49A161 - 163
50X-RAY DIFFRACTION50A164 - 166
51X-RAY DIFFRACTION51A167 - 170

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