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- PDB-2xjn: Crystal structure of Streptococcus suis Dpr with copper -

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Basic information

Entry
Database: PDB / ID: 2xjn
TitleCrystal structure of Streptococcus suis Dpr with copper
ComponentsDNA PROTECTION DURING STARVATION PROTEIN
KeywordsOXIDOREDUCTASE / IRON STORAGE / METAL-BINDING
Function / homology
Function and homology information


Oxidoreductases; Oxidizing metal ions / ferric iron binding / intracellular iron ion homeostasis / oxidoreductase activity / cytoplasm
Similarity search - Function
DNA-binding protein Dps / Ferritin, core subunit, four-helix bundle / Ferritin / Ferritin/DPS protein domain / Ferritin-like domain / Ferritin-like / Ferritin-like superfamily / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology
COPPER (II) ION / DNA protection during starvation protein
Similarity search - Component
Biological speciesSTREPTOCOCCUS SUIS (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsHaikarainen, T. / Thanassoulas, A. / Stavros, P. / Nounesis, G. / Haataja, S. / Papageorgiou, A.C.
CitationJournal: J.Mol.Biol. / Year: 2011
Title: Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
Authors: Haikarainen, T. / Thanassoulas, A. / Stavros, P. / Nounesis, G. / Haataja, S. / Papageorgiou, A.C.
History
DepositionJul 6, 2010Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 24, 2010Provider: repository / Type: Initial release
Revision 1.1Oct 12, 2011Group: Database references / Version format compliance
Revision 1.2Jul 24, 2019Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.3May 8, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _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.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_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.ptnr3_symmetry / _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.ptnr1_symmetry / _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_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _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: DNA PROTECTION DURING STARVATION PROTEIN
B: DNA PROTECTION DURING STARVATION PROTEIN
C: DNA PROTECTION DURING STARVATION PROTEIN
D: DNA PROTECTION DURING STARVATION PROTEIN
E: DNA PROTECTION DURING STARVATION PROTEIN
F: DNA PROTECTION DURING STARVATION PROTEIN
G: DNA PROTECTION DURING STARVATION PROTEIN
H: DNA PROTECTION DURING STARVATION PROTEIN
I: DNA PROTECTION DURING STARVATION PROTEIN
J: DNA PROTECTION DURING STARVATION PROTEIN
K: DNA PROTECTION DURING STARVATION PROTEIN
L: DNA PROTECTION DURING STARVATION PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)225,78638
Polymers223,69212
Non-polymers2,09326
Water22,6451257
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area39210 Å2
ΔGint-402.7 kcal/mol
Surface area61880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)104.840, 137.710, 142.120
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 1 types, 12 molecules ABCDEFGHIJKL

#1: Protein
DNA PROTECTION DURING STARVATION PROTEIN / DPS-LIKE PEROXIDE RESISTANCE PROTEIN


Mass: 18641.014 Da / Num. of mol.: 12 / Fragment: RESIDUES 8-172
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) STREPTOCOCCUS SUIS (bacteria) / Production host: ESCHERICHIA COLI (E. coli)
References: UniProt: P0CB53, Oxidoreductases; Oxidizing metal ions

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Non-polymers , 5 types, 1283 molecules

#2: Chemical
ChemComp-CU / COPPER (II) ION


Mass: 63.546 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Cu
#3: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#4: Chemical
ChemComp-EPE / 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES


Mass: 238.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C8H18N2O4S / Comment: pH buffer*YM
#5: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Ca
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1257 / 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: 2.2 Å3/Da / Density % sol: 44.2 % / Description: NONE
Crystal growpH: 7.4
Details: 30 - 35 % (V/V) PEG 400, 0.2 M CACL2, 0.1 M HEPES-NAOH (PH 7.4)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X12 / Wavelength: 1.38047
DetectorType: MARRESEARCH MARMOSAIC / Detector: CCD / Date: Oct 10, 2008 / Details: VERTICALLY FOCUSSING
RadiationMonochromator: DOUBLE CRYSTAL SI(111), HORIZONTALLY FOCUSSING
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.38047 Å / Relative weight: 1
ReflectionResolution: 2.1→25 Å / Num. obs: 118636 / % possible obs: 97.3 % / Observed criterion σ(I): 2 / Redundancy: 3.1 % / Biso Wilson estimate: 35.4 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 11.8
Reflection shellResolution: 2.1→2.15 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 2.7 / % possible all: 79

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Processing

Software
NameVersionClassification
REFMAC5.4.0078refinement
XDSdata reduction
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: FRIEDEL_LAW=FALSE WAS USED DURING DATA PROCESSING, AND A TOTAL OF 1225754 REFLECTIONS WERE PROCESSED.

Resolution: 2.1→24.76 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.938 / SU B: 9.698 / SU ML: 0.116 / Cross valid method: THROUGHOUT / ESU R: 0.196 / ESU R Free: 0.17 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
RfactorNum. reflection% reflectionSelection details
Rfree0.21101 5932 5 %RANDOM
Rwork0.1597 ---
obs0.16225 112702 100 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 12.542 Å2
Baniso -1Baniso -2Baniso -3
1-0.96 Å20 Å20 Å2
2---0.46 Å20 Å2
3----0.5 Å2
Refinement stepCycle: LAST / Resolution: 2.1→24.76 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms14471 0 82 1257 15810
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0140.02215084
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.3451.95120424
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.69551844
X-RAY DIFFRACTIONr_dihedral_angle_2_deg43.47425.196766
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.408152654
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.3651564
X-RAY DIFFRACTIONr_chiral_restr0.0920.22207
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0211524
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_it0.5681.59122
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it1.029214650
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it2.06935962
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it3.1234.55774
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
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: 2.1→2.154 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.259 384 -
Rwork0.19 7298 -
obs--100 %
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)
10.84440.43-0.06753.11921.02261.77970.0184-0.1076-0.11210.0811-0.04730.06030.12170.07010.02890.18140.0128-0.04420.14260.0810.107913.6976120.481125.9993
24.02616.38114.397120.985311.84628.27770.0523-0.0584-0.1789-0.108-0.18640.2659-0.0371-0.43880.13410.15780.0378-0.01860.09570.0790.151912.3444120.17417.5145
30.7888-0.11230.00332.20351.73463.29250.0707-0.1403-0.2740.38290.0614-0.10230.52520.0939-0.13210.2777-0.0015-0.03760.10740.09320.22119.9346107.569623.3106
47.8473-4.622-4.68752.72612.87916.4346-0.1221-0.3134-0.07010.568-0.08220.06670.33-0.00790.20440.2855-0.0343-0.0720.20740.05520.098719.543126.344136.2871
51.14151.12420.7783.86372.20222.66880.042-0.0238-0.2908-0.0288-0.0287-0.33070.22120.1865-0.01340.16890.0726-0.03150.11860.07420.18324.5756115.308417.6253
69.8904-1.433512.472372.65622.384223.8065-0.08720.60560.087-2.8737-0.6291.613-1.3245-0.56370.71620.31880.0106-0.09990.47030.03120.0952-6.0361150.2142-37.8553
70.5206-0.2647-0.54671.99171.68743.752-0.0080.05670.0249-0.02950.00790.00520.0171-0.03390.00010.0270.0042-0.03150.13210.04170.126-4.479160.0539-14.316
81.3097-1.6109-1.35753.19612.05872.31310.03010.19430.1537-0.3216-0.02710.1085-0.2478-0.1243-0.00290.09360.0034-0.05880.18820.03880.1082-2.6004160.807-24.1256
92.3862-1.7865-1.68675.22834.34455.70120.01880.3538-0.029-0.4415-0.09020.2893-0.0464-0.32490.07150.0516-0.0107-0.08560.20020.03480.1436-12.6544150.5472-25.0786
109.12511.4512.12618.43524.12773.83530.06570.15980.1688-0.20770.04060.4034-0.2874-0.1027-0.10630.01940.0131-0.02130.11220.05540.1954-21.3581158.1121-12.0715
1110.1218-5.2575-4.780122.2433-1.043622.65130.2839-0.97840.67461.19070.31840.9157-0.0185-0.203-0.60240.2935-0.05040.10770.27440.08750.2222-5.681125.852539.4902
120.35740.02930.24491.45161.05542.65870.0307-0.0412-0.1272-0.04370.06290.11250.06990.0044-0.09360.2148-0.05020.0120.1250.07350.2235-3.0102114.806417.6175
130.2430.40890.59763.40321.8862.83120.0336-0.1282-0.20780.4383-0.03160.33050.3739-0.2062-0.0020.2597-0.05710.04090.18190.09390.2129-1.1014115.052929.0102
140.98590.51050.5328.40346.02056.6080.0337-0.3049-0.13860.6680.00290.33540.3726-0.3744-0.03660.2101-0.03710.07760.25390.11350.2055-12.1384122.64129.8856
152.11023.1013.45635.26544.47346.1790.0572-0.2521-0.2050.12470.11410.12270.2286-0.4067-0.17140.1441-0.06910.02960.21750.11540.2936-17.3371119.615518.1149
163.2506-0.43441.22059.85555.33417.8789-0.05840.10350.4084-0.0287-0.0478-0.1425-0.36480.05110.10620.0514-0.02090.0190.09590.08170.137711.8007170.6451-14.1674
171.9215-1.4789-0.8584.87390.6631.6140.08080.0969-0.0223-0.1938-0.07240.0360.17110.0075-0.00840.1016-0.01020.01140.19450.00260.025313.3432148.4354-26.5629
181.9053-4.7491-2.667512.23596.27134.0925-0.07740.0150.02740.0763-0.0440.33880.1266-0.02990.12140.0616-0.0444-0.00730.15540.03440.11511.8796155.4059-14.052
190.9443-0.4184-0.34791.32310.9161.24540.00130.17040.2089-0.24130.0375-0.1392-0.21540.1577-0.03880.1129-0.03240.02120.1340.07350.120515.3764165.7273-18.1167
204.053-4.1968-2.43675.89223.63912.40240.06390.01350.2968-0.0718-0.0441-0.1518-0.03360.1842-0.01980.0438-0.0439-0.01010.16390.06320.093725.3892156.7695-13.4759
2146.34295.075818.095730.355610.814917.45560.42510.3951-2.61310.5509-0.3499-1.02861.18270.2495-0.07520.37540.14140.09650.1939-0.07510.358125.7547104.9576-15.2417
223.81-0.1718-0.69370.54930.24480.61760.02190.0794-0.1048-0.16180.020.09780.256-0.0151-0.04190.3252-0.0069-0.05890.0768-0.01790.20891.6285112.5038-11.0972
234.8530.3583-0.02140.6822-0.39110.63450.18380.1399-0.5095-0.2535-0.09390.09430.42230.0687-0.08990.4750.0262-0.04650.0938-0.08590.25488.8179108.8392-17.6163
2415.12-0.0553-2.35711.8942-0.2871.74030.0257-0.0264-0.5661-0.4534-0.0064-0.06260.44420.1251-0.01930.45580.0586-0.04720.0571-0.03660.262712.6984103.5103-6.8517
259.80762.9243-4.52461.7238-1.59512.8571-0.0763-0.2738-0.4667-0.2483-0.0522-0.14470.38920.26060.12840.36680.0283-0.03740.0609-0.00960.206211.188106.9416-0.6452
2615.29061.5503-0.68647.35390.08254.32520.0457-0.25590.51250.298-0.0655-0.5352-0.61630.43160.01980.3116-0.0397-0.06840.0673-0.02920.130316.6423170.070720.637
273.44441.15311.67381.96780.41091.6246-0.0246-0.06380.00930.2036-0.00270.1606-0.0059-0.14210.02730.15510.07020.07070.1057-0.01030.1281-8.0169162.828114.6837
2823.3155-1.184910.10084.4290.28396.0298-0.0281-0.0579-0.28720.25010.0767-0.06680.14180.0242-0.04870.172-0.00390.03250.055-0.00320.08195.6572160.075513.7101
294.7828-1.24720.88961.1992-0.28991.3797-0.1183-0.38530.56980.45090.03720.0033-0.3594-0.09120.08110.3290.0040.01570.073-0.03180.14944.3456168.103622.6609
306.8355-0.64052.29610.6904-0.66152.1082-0.10650.03470.31070.2565-0.0071-0.0668-0.32290.09520.11360.1713-0.0082-0.01270.0169-0.010.13968.4257171.41848.1443
3132.0943-2.8195-1.261426.536810.18195.9541.00251.6273-1.1119-1.8127-0.7231.0194-0.6249-0.7545-0.27950.4545-0.0144-0.21060.2833-0.03430.2088-12.2475118.9958-31.8214
322.27690.82140.42431.1896-0.16640.52760.09670.1034-0.1113-0.1371-0.0663-0.04940.30440.082-0.03040.31050.0460.00780.1591-0.07860.078412.7878124.1203-23.7711
3319.38879.25980.36594.99450.44630.41780.3229-0.3984-0.24890.1084-0.24050.020.34770.079-0.08250.3101-0.01-0.03970.1357-0.04910.10162.0364125.4386-19.8144
341.80.2922-0.65091.2399-0.61860.79980.00360.4218-0.3573-0.47080.0202-0.00620.46790.0896-0.02380.43370.0232-0.05210.2181-0.11920.13015.9992117.7699-28.2002
355.95552.2978-1.18262.279-0.83880.8215-0.09340.3402-0.0176-0.37890.1110.26320.2357-0.0986-0.01750.3020.0036-0.06580.2009-0.05660.0487-0.4172131.7292-30.9406
367.82462.8975-0.197.51842.25066.98590.055-0.67440.3760.5597-0.0790.7552-0.0446-0.62080.0240.29260.07740.13030.2619-0.01590.149-12.6526156.006733.128
374.004-1.0795-0.29411.25610.08120.3827-0.00050.0386-0.00710.1727-0.01480.0034-0.1433-0.04290.01530.259-0.00960.01380.14560.00870.04478.5662151.307826.67
383.4057-0.31870.82991.1039-0.25751.0482-0.123-0.53290.2190.54730.04160.0609-0.2156-0.10960.08140.37740.04040.05960.194-0.04290.07551.4427158.902432.0972
399.8825-1.58932.13051.5534-0.31541.9112-0.1702-0.6154-0.00420.51030.14560.2949-0.131-0.36050.02470.36920.02880.11380.19740.03290.072-5.5754145.727934.368
403.70512.1583-1.5625.325-2.32196.84070.1445-0.3710.1370.5452-0.01340.0753-0.586-0.2549-0.13110.3639-0.0188-0.01520.14210.01290.03949.3103138.079337.7765
413.03780.5098-0.700712.5051-7.387910.12960.1335-0.2609-0.531-0.0136-0.3596-0.2990.44670.66860.22610.05240.0837-0.00880.27380.07440.208239.5434126.0245.3153
422.44650.66830.94690.9181-0.20623.6924-0.07750.0399-0.0222-0.0697-0.0275-0.09730.01270.0090.10510.04410.02240.02470.13370.01270.120931.0491141.7645-12.3602
434.8604-2.30394.91359.9354-12.709421.35480.0257-0.00670.32990.1992-0.0712-0.0279-0.12450.17010.04550.05420.04550.01880.1368-0.010.192528.0529133.3477-2.4998
440.51670.1840.10171.6774-1.77474.1122-0.00380.1115-0.0813-0.0438-0.2031-0.38210.14880.41330.20690.06360.08150.01250.23860.05720.223339.7564133.64970.4907
450.95930.10950.5491.5317-2.26066.7371-0.02280.1118-0.2905-0.2046-0.1162-0.22360.60370.42410.1390.16860.11790.06250.1718-0.01390.227833.213122.0064-6.3606
4625.6436-3.0154-2.59092.97856.567415.2097-0.619-1.6888-0.74440.59770.4324-0.01260.757-1.1760.18650.1939-0.07030.17210.41560.13070.3487-30.5552130.055922.3058
470.52160.9516-0.21322.4931-1.34281.79340.003-0.1049-0.0989-0.05170.01050.17250.0779-0.0978-0.01350.0450.01080.05330.20130.0050.247-22.7942145.47724.2447
480.1596-0.46140.17553.7237-1.20691.06890.0109-0.1229-0.08660.07330.16210.57260.0359-0.4999-0.1730.0522-0.02470.07050.33360.06870.3912-31.5058139.27657.1499
491.03740.8868-2.48829.2232-5.67287.4534-0.0245-0.13650.1681-0.32890.35041.02760.172-0.6773-0.32590.07120.0270.04040.23410.0190.3168-28.4709152.345310.1314
500.72610.9635-0.12517.6867-2.9211.23880.0161-0.2845-0.0480.56510.09080.425-0.0873-0.2371-0.1070.15570.03230.11220.27490.01830.2154-22.8547145.309420.7002
513.92020.0107-0.517116.4601-6.03675.14960.09450.10090.2183-0.2759-0.2211-0.2577-0.16080.46840.12660.0438-0.0785-0.05740.23050.06320.170438.5891156.1858-0.6634
521.82620.7088-1.39411.13280.28593.0316-0.0335-0.0027-0.01630.1379-0.1177-0.09460.04370.15220.15120.08370.0008-0.07410.15970.07170.130931.0614137.756517.3556
531.93293.3449-5.06156.9324-10.126317.5314-0.11330.0703-0.2642-0.1647-0.049-0.13130.4477-0.04070.16230.07180.0064-0.05340.12750.01780.175127.6251145.35357.7445
540.50850.05290.18861.5408-1.70134.00260.0484-0.1034-0.0470.1259-0.1815-0.3723-0.02980.44150.1330.0391-0.0505-0.0670.23250.07540.208938.9271146.00156.7607
550.78150.1647-0.98721.9198-3.13055.77760.0877-0.08780.11220.3096-0.1261-0.1602-0.33620.33940.03840.109-0.0878-0.09610.14430.00630.177230.9798156.937812.5648
566.38120.1671-0.24554.5014-1.75828.3561-0.00420.48480.0357-0.4044-0.05110.6341-0.2802-0.3330.05530.0631-0.0697-0.09540.23360.0040.3444-30.0257139.833-15.1742
571.0664-0.572-0.04311.99040.16031.2994-0.0194-0.2431-0.19660.08370.16860.30610.2383-0.1216-0.14920.1466-0.1263-0.01630.19280.0580.3032-22.427122.73683.6276
583.5396-4.80083.950117.7958-12.777910.8172-0.0096-0.2976-0.07490.41690.12290.1928-0.1988-0.0567-0.11340.0931-0.0785-0.02940.1807-0.0180.2408-18.0493130.4047-3.3947
590.8561-0.09990.01562.1455-0.59180.8630.03680.0564-0.1678-0.16850.07610.41640.1997-0.3892-0.11290.079-0.089-0.06820.23520.01060.3281-28.0697132.2103-10.1701
600.6576-2.07160.991811.7568-3.45391.51660.1240.0571-0.1087-0.464-0.03930.34050.3041-0.1392-0.08470.2037-0.1235-0.08120.1976-0.03520.2898-18.2826122.4981-14.143
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A23 - 62
2X-RAY DIFFRACTION2A63 - 75
3X-RAY DIFFRACTION3A76 - 106
4X-RAY DIFFRACTION4A107 - 117
5X-RAY DIFFRACTION5A118 - 172
6X-RAY DIFFRACTION6B22 - 27
7X-RAY DIFFRACTION7B28 - 73
8X-RAY DIFFRACTION8B74 - 115
9X-RAY DIFFRACTION9B116 - 159
10X-RAY DIFFRACTION10B160 - 172
11X-RAY DIFFRACTION11C24 - 29
12X-RAY DIFFRACTION12C30 - 73
13X-RAY DIFFRACTION13C74 - 113
14X-RAY DIFFRACTION14C114 - 148
15X-RAY DIFFRACTION15C149 - 172
16X-RAY DIFFRACTION16D22 - 40
17X-RAY DIFFRACTION17D41 - 57
18X-RAY DIFFRACTION18D58 - 78
19X-RAY DIFFRACTION19D79 - 145
20X-RAY DIFFRACTION20D146 - 172
21X-RAY DIFFRACTION21E22 - 27
22X-RAY DIFFRACTION22E28 - 73
23X-RAY DIFFRACTION23E74 - 114
24X-RAY DIFFRACTION24E115 - 138
25X-RAY DIFFRACTION25E139 - 172
26X-RAY DIFFRACTION26F22 - 36
27X-RAY DIFFRACTION27F37 - 62
28X-RAY DIFFRACTION28F63 - 75
29X-RAY DIFFRACTION29F76 - 114
30X-RAY DIFFRACTION30F115 - 172
31X-RAY DIFFRACTION31G22 - 28
32X-RAY DIFFRACTION32G29 - 61
33X-RAY DIFFRACTION33G62 - 78
34X-RAY DIFFRACTION34G79 - 116
35X-RAY DIFFRACTION35G117 - 172
36X-RAY DIFFRACTION36H22 - 34
37X-RAY DIFFRACTION37H35 - 77
38X-RAY DIFFRACTION38H78 - 114
39X-RAY DIFFRACTION39H115 - 159
40X-RAY DIFFRACTION40H160 - 172
41X-RAY DIFFRACTION41I22 - 40
42X-RAY DIFFRACTION42I41 - 62
43X-RAY DIFFRACTION43I63 - 72
44X-RAY DIFFRACTION44I73 - 114
45X-RAY DIFFRACTION45I115 - 172
46X-RAY DIFFRACTION46J22 - 29
47X-RAY DIFFRACTION47J30 - 76
48X-RAY DIFFRACTION48J77 - 112
49X-RAY DIFFRACTION49J113 - 124
50X-RAY DIFFRACTION50J125 - 172
51X-RAY DIFFRACTION51K21 - 37
52X-RAY DIFFRACTION52K38 - 62
53X-RAY DIFFRACTION53K63 - 73
54X-RAY DIFFRACTION54K74 - 114
55X-RAY DIFFRACTION55K115 - 172
56X-RAY DIFFRACTION56L22 - 36
57X-RAY DIFFRACTION57L37 - 59
58X-RAY DIFFRACTION58L60 - 73
59X-RAY DIFFRACTION59L74 - 145
60X-RAY DIFFRACTION60L146 - 172

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