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- PDB-4qyi: 1.95 Angstrom resolution crystal structure of a hypoxanthine-guan... -

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Basic information

Entry
Database: PDB / ID: 4qyi
Title1.95 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' with HEPES molecule in the active site
Components(Hypoxanthine ...) x 2
KeywordsTRANSFERASE / Hypoxanthine-Guanine Phosphoribosyltransferase / Salvage of nucleosides and nucleotides / Structural Genomics / Center for Structural Genomics of Infectious Diseases / Glycosyltransferase / CSGID / NIAID / National Institute of Allergy and Infectious Diseases
Function / homology
Function and homology information


hypoxanthine phosphoribosyltransferase / guanine phosphoribosyltransferase activity / hypoxanthine phosphoribosyltransferase activity / IMP salvage / purine ribonucleoside salvage / nucleotide binding / metal ion binding / cytoplasm
Similarity search - Function
Hypoxanthine phosphoribosyl transferase / Rossmann fold - #2020 / Phosphoribosyl transferase domain / Phosphoribosyltransferase-like / Phosphoribosyltransferase domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
PHOSPHATE ION / Hypoxanthine phosphoribosyltransferase / Hypoxanthine phosphoribosyltransferase
Similarity search - Component
Biological speciesBacillus anthracis (anthrax bacterium)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.95 Å
AuthorsHalavaty, A.S. / Minasov, G. / Dubrovska, I. / Winsor, J. / Shuvalova, L. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)
CitationJournal: To be Published
Title: 1.95 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' with HEPES molecule in the active site
Authors: Halavaty, A.S. / Minasov, G. / Dubrovska, I. / Winsor, J. / Shuvalova, L. / Anderson, W.F. / Center for Structural Genomics of Infectious Diseases (CSGID)
History
DepositionJul 24, 2014Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 27, 2014Provider: repository / Type: Initial release
Revision 1.1Nov 22, 2017Group: Refinement description / Category: software / Item: _software.name
Revision 1.2Sep 20, 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_ncs_dom_lim / 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_alt_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_auth_seq_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_alt_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.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr2_label_alt_id / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_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: Hypoxanthine phosphoribosyltransferase
B: Hypoxanthine phosphoribosyltransferase
C: Hypoxanthine phosphoribosyltransferase
D: Hypoxanthine phosphoribosyltransferase
E: Hypoxanthine phosphoribosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)107,72626
Polymers105,9415
Non-polymers1,78621
Water6,666370
1
A: Hypoxanthine phosphoribosyltransferase
D: Hypoxanthine phosphoribosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)42,7598
Polymers42,3312
Non-polymers4286
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3460 Å2
ΔGint-57 kcal/mol
Surface area15630 Å2
MethodPISA
2
B: Hypoxanthine phosphoribosyltransferase
C: Hypoxanthine phosphoribosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,17010
Polymers42,4072
Non-polymers7648
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4190 Å2
ΔGint-54 kcal/mol
Surface area15090 Å2
MethodPISA
3
E: Hypoxanthine phosphoribosyltransferase
hetero molecules

E: Hypoxanthine phosphoribosyltransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)43,59316
Polymers42,4072
Non-polymers1,18714
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_456-x-1,y,-z+11
Buried area5450 Å2
ΔGint-80 kcal/mol
Surface area14930 Å2
MethodPISA
Unit cell
Length a, b, c (Å)172.779, 117.009, 56.883
Angle α, β, γ (deg.)90.00, 90.96, 90.00
Int Tables number5
Space group name H-MC121
Components on special symmetry positions
IDModelComponents
11C-345-

HOH

Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14A
24E
15B
25C
16B
26D
17B
27E
18C
28D
19C
29E
110D
210E

NCS domain segments:

Component-ID: 0 / End auth comp-ID: VAL / End label comp-ID: VAL / Refine code: 0

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLUGLUAA4 - 1727 - 175
21GLUGLUBB4 - 1727 - 175
12GLUGLUAA4 - 1727 - 175
22GLUGLUCC4 - 1727 - 175
13GLUGLUAA4 - 1737 - 176
23GLUGLUDD4 - 1737 - 176
14GLUGLUAA4 - 1737 - 176
24GLUGLUEE4 - 1737 - 176
15ILEILEBB3 - 1736 - 176
25ILEILECC3 - 1736 - 176
16ILEILEBB3 - 1736 - 176
26ILEILEDD3 - 1736 - 176
17ILEILEBB3 - 1736 - 176
27ILEILEEE3 - 1736 - 176
18ILEILECC3 - 1736 - 176
28ILEILEDD3 - 1736 - 176
19ILEILECC3 - 1736 - 176
29ILEILEEE3 - 1736 - 176
110ILEILEDD3 - 1736 - 176
210ILEILEEE3 - 1736 - 176

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

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Components

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Hypoxanthine ... , 2 types, 5 molecules ABCDE

#1: Protein Hypoxanthine phosphoribosyltransferase / Hypoxanthine-guanine phosphoribosyltransferase


Mass: 21127.225 Da / Num. of mol.: 1 / Fragment: hypoxanthine-guanine phosphoribosyltransferase
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Ames Ancestor / Gene: BAS4712, BA_5074, GBAA_5074, hpt-2, hpt2 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-Magic
References: UniProt: Q81KC7, UniProt: A0A6L8PVA4*PLUS, hypoxanthine phosphoribosyltransferase
#2: Protein
Hypoxanthine phosphoribosyltransferase / Hypoxanthine-guanine phosphoribosyltransferase


Mass: 21203.342 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacillus anthracis (anthrax bacterium) / Strain: Ames Ancestor / Gene: BAS4712, BA_5074, GBAA_5074, hpt-2, hpt2 / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-Magic / References: UniProt: Q81KC7, UniProt: A0A6L8PVA4*PLUS

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Non-polymers , 5 types, 391 molecules

#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Mg
#4: Chemical
ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: PO4
#5: Chemical ChemComp-EPE / 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES / HEPES


Mass: 238.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H18N2O4S / Comment: pH buffer*YM
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 370 / Source method: isolated from a natural source / Formula: H2O

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Details

Compound detailsTHE ASYMMETRIC UNIT WOULD CONTAIN 6 MOLECULES FROM WHICH ONE CHAIN (F) WAS NOT MODELED DUE TO HUGE ...THE ASYMMETRIC UNIT WOULD CONTAIN 6 MOLECULES FROM WHICH ONE CHAIN (F) WAS NOT MODELED DUE TO HUGE DISORDER. THIS MISSING CHAIN WAS NOT SPECIFIED UNDER REMARK 465 FOR MISSING RESIDUES EITHER.

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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: 2.7 Å3/Da / Density % sol: 54.42 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7
Details: protein: 7 mg/mL in 10 mM Tris-HCl pH 8.3, 500 mM NaCl, 5 mM BME crystallization: The PACT Suite C10 (#34): 0.2 M MgCl2, 0.1 M HEPES pH 7.0, 20% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jun 29, 2011 / Details: Be lenses
RadiationMonochromator: Diamond[111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 1.95→30 Å / Num. all: 81640 / Num. obs: 81640 / % possible obs: 98.4 % / Observed criterion σ(I): -3 / Redundancy: 3.6 % / Biso Wilson estimate: 33 Å2 / Rmerge(I) obs: 0.058 / Net I/σ(I): 19.1
Reflection shellResolution: 1.95→1.98 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.386 / Mean I/σ(I) obs: 2.1 / Num. unique all: 3512 / % possible all: 85.5

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Processing

Software
NameVersionClassification
Blu-IceMaxdata collection
PHASERphasing
REFMAC5.7.0029refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: pdb entry 3O7M

3o7m


Resolution: 1.95→27.99 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.927 / SU B: 8.896 / SU ML: 0.126 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / ESU R: 0.177 / ESU R Free: 0.157 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.25243 4060 5 %RANDOM
Rwork0.22135 ---
obs0.22288 76977 98.53 %-
all-76977 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 55.655 Å2
Baniso -1Baniso -2Baniso -3
1--4.81 Å20 Å2-3.35 Å2
2--1.96 Å2-0 Å2
3---2.9 Å2
Refinement stepCycle: LAST / Resolution: 1.95→27.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6803 0 100 370 7273
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0110.0197245
X-RAY DIFFRACTIONr_bond_other_d0.0060.027176
X-RAY DIFFRACTIONr_angle_refined_deg1.8031.9899803
X-RAY DIFFRACTIONr_angle_other_deg1.145316615
X-RAY DIFFRACTIONr_dihedral_angle_1_deg2.6715896
X-RAY DIFFRACTIONr_dihedral_angle_2_deg26.82925.466322
X-RAY DIFFRACTIONr_dihedral_angle_3_deg9.672151369
X-RAY DIFFRACTIONr_dihedral_angle_4_deg9.6661526
X-RAY DIFFRACTIONr_chiral_restr0.0990.21147
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.027989
X-RAY DIFFRACTIONr_gen_planes_other0.0050.021513
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A104220.12
12B104220.12
21A105320.11
22C105320.11
31A102350.12
32D102350.12
41A102040.12
42E102040.12
51B107450.1
52C107450.1
61B104360.11
62D104360.11
71B104020.11
72E104020.11
81C107000.1
82D107000.1
91C108210.1
92E108210.1
101D101420.12
102E101420.12
LS refinement shellResolution: 1.95→2 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.336 261 -
Rwork0.294 5043 -
obs-5043 87.81 %
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)
12.8715-0.5534-2.34151.31381.14898.8221-0.04510.54230.0206-0.2779-0.11020.58210.2139-0.43250.15520.49470.1987-0.07060.53440.06970.5191-61.986121.2682.7395
21.5154-1.1680.01262.65150.45862.3240.19160.26860.1399-0.2219-0.06380.239-0.05010.0009-0.12780.42490.20790.0320.48270.08110.3757-51.187122.78968.8635
33.72758.3277-1.436721.23741.759110.048-0.19720.369-0.2454-0.30490.5004-0.63770.4927-0.5843-0.30320.64910.1908-0.08810.6611-0.17950.6889-41.5828-0.34116.9453
41.9331-1.4467-0.36392.51830.85951.7950.1730.1693-0.024-0.16490.08440.33090.0313-0.1416-0.25740.38830.1690.05480.44590.05630.2679-46.903916.631414.8468
51.36561.90334.43072.91836.637415.24930.0252-0.0693-0.1440.0104-0.14960.20510.1166-0.40760.12440.59250.1463-0.06120.61980.07560.8429-49.96157.216712.9585
63.8773-0.03562.64671.92611.13826.32370.28630.104-0.558-0.1297-0.03050.46770.2368-0.4232-0.25580.38820.1420.00090.47970.05290.4995-55.26811.370512.1329
73.58940.1768-1.82253.1707-0.02812.89640.07670.6914-0.6989-0.5084-0.15150.23650.4697-0.13650.07490.65460.2227-0.10550.701-0.0320.4895-53.99112.53-3.0311
84.21631.35921.040611.7975.04445.04360.1038-0.3242-0.01520.16460.0259-0.2426-0.14160.1161-0.12970.27540.00280.09580.1890.02880.0459-11.98577.32735.8311
92.5916-0.99820.90132.2241-0.36661.14820.29990.1594-0.4596-0.136-0.10910.27990.1073-0.1359-0.19090.30320.0630.0650.2135-0.04110.1505-21.8898-2.919522.7852
1013.4691-9.0988-6.28638.08172.03185.5112-0.1121-0.71830.83070.35220.5678-0.4635-0.34640.1656-0.45570.34690.13350.04580.4157-0.12770.2076-34.760816.012824.34
112.3102-0.47430.18790.3151-0.64281.89990.0723-0.2163-0.1320.01420.06020.1163-0.197-0.2977-0.13250.39990.12320.06940.3992-0.04630.2332-33.36716.909223.3313
124.9217-0.3451.61881.00470.40462.9501-0.0041-0.4426-0.10970.04470.05940.443-0.1924-0.4891-0.05530.35020.06680.12840.36810.05450.2472-32.34662.977131.1133
137.0281-1.72821.67774.4151-0.82092.9068-0.0606-0.46880.63210.23370.07480.2169-0.4299-0.3364-0.01410.45980.06140.16310.2902-0.05220.1435-15.852515.932732.6957
146.07511.61010.582613.66847.859810.89310.25770.6242-0.6481-0.9029-0.36150.57710.1845-0.53060.10380.44640.1702-0.00790.3534-0.12710.2094-9.862-7.84687.3993
153.60837.2904-0.186419.26241.9581.40410.25880.0574-0.07420.4633-0.0893-0.3271-0.13760.184-0.16950.32590.0190.12510.508-0.04880.0871-1.17535.514117.2448
161.9644-0.2691.10971.4948-0.35421.39560.0560.36270.2045-0.0953-0.12440.0209-0.17590.04450.06840.41550.10380.16740.35620.02790.0976-14.430516.494912.2077
173.8066-2.7050.45922.27210.68623.7616-0.08460.74530.5041-0.0897-0.3349-0.2642-0.59890.21530.41950.57120.04240.17120.49970.12510.2459-14.308225.23656.8489
183.79330.58724.07521.1559-0.34387.64790.07991.42340.0122-0.3531-0.1548-0.06920.09471.1540.0750.62920.29440.25251.05010.06190.1183-6.57319.90092.1184
193.6462-2.39850.91453.0645-1.79084.88770.43280.7808-0.5593-0.5807-0.28730.56080.5725-0.097-0.14550.50210.15320.01320.4389-0.13790.2313-15.4075-3.33718.732
206.304-4.8273.66436.6414.411925.0302-0.2176-0.40420.92090.3546-0.1513-0.0877-0.911-0.13970.36890.9285-0.07210.26660.9303-0.19911.1792-53.487643.67112.9776
215.4325-1.9961-6.41792.2035.108713.18250.13310.63120.5006-0.3823-0.0290.2528-0.4643-0.3219-0.10410.77830.2344-0.07690.65720.31090.5566-47.475138.0703-9.089
224.12060.1603-2.50931.84540.29611.66080.03380.66630.3583-0.4060.03060.2698-0.0348-0.2816-0.06440.59890.24450.04070.63560.19840.2946-43.101228.6975-1.5465
236.812-0.85812.65392.7669-2.10484.4187-0.0039-0.11710.6234-0.17630.06160.0102-0.2847-0.8168-0.05770.51220.28520.11860.42660.0330.3231-36.847628.78422.1754
243.1752-0.31030.32480.5474-0.5730.8815-0.07930.43050.7103-0.07990.08-0.0678-0.2876-0.0858-0.00070.6330.18770.10850.4550.13870.3116-31.375931.29470.8792
258.85353.38835.96929.61170.81454.3106-0.19120.00151.00610.0435-0.4501-0.3277-0.20890.00310.64130.95430.19030.0940.7450.31150.8919-35.814544.71332.4944
269.8004-1.03552.08143.6931-1.79925.95640.1631-0.4160.89080.3596-0.05810.1805-0.58140.1038-0.10490.60170.16150.05430.44660.03640.5663-49.565237.545513.346
2711.43822.67961.5014.81490.18763.03410.1868-0.4450.06410.0217-0.11840.57750.1347-0.3207-0.06840.239-0.03940.01980.12170.03790.2254-102.83942.162435.1314
2813.0502-5.2853.63115.5589-0.42891.98190.1722-0.046-0.12020.1653-0.2005-0.09880.07170.08790.02840.2833-0.0891-0.00780.14540.11360.2031-79.289241.932842.0944
293.2956-0.79310.96161.5919-0.51321.73990.3914-0.1847-0.87130.1046-0.14050.08950.4440.0087-0.25090.4261-0.0616-0.11320.13390.08830.46-83.822727.223237.2934
3010.3928-9.4911-2.310910.40663.59151.77710.5401-0.3352-0.31320.1678-0.1237-0.26230.4257-0.2789-0.41640.643-0.1781-0.08330.43940.31080.7701-87.251821.2646.4886
314.5714-1.3913-0.75313.89810.2811.99320.1119-0.2992-0.57520.3618-0.1243-0.10430.34950.03940.01230.4701-0.1063-0.0840.22120.17150.3555-82.524727.80245.3823
323.48660.78790.23641.45720.21482.45860.4082-0.5397-0.60510.3295-0.21730.24590.3524-0.4811-0.19090.3998-0.15610.0070.22220.11430.3894-98.477234.160840.5518
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A4 - 35
2X-RAY DIFFRACTION2A36 - 68
3X-RAY DIFFRACTION3A69 - 78
4X-RAY DIFFRACTION4A79 - 100
5X-RAY DIFFRACTION5A101 - 115
6X-RAY DIFFRACTION6A116 - 133
7X-RAY DIFFRACTION7A134 - 173
8X-RAY DIFFRACTION8B3 - 20
9X-RAY DIFFRACTION9B21 - 62
10X-RAY DIFFRACTION10B63 - 73
11X-RAY DIFFRACTION11B74 - 106
12X-RAY DIFFRACTION12B107 - 149
13X-RAY DIFFRACTION13B150 - 173
14X-RAY DIFFRACTION14C3 - 12
15X-RAY DIFFRACTION15C13 - 24
16X-RAY DIFFRACTION16C25 - 106
17X-RAY DIFFRACTION17C107 - 123
18X-RAY DIFFRACTION18C124 - 150
19X-RAY DIFFRACTION19C151 - 173
20X-RAY DIFFRACTION20D3 - 12
21X-RAY DIFFRACTION21D13 - 32
22X-RAY DIFFRACTION22D33 - 53
23X-RAY DIFFRACTION23D54 - 74
24X-RAY DIFFRACTION24D75 - 130
25X-RAY DIFFRACTION25D131 - 148
26X-RAY DIFFRACTION26D151 - 173
27X-RAY DIFFRACTION27E2 - 15
28X-RAY DIFFRACTION28E16 - 34
29X-RAY DIFFRACTION29E35 - 101
30X-RAY DIFFRACTION30E102 - 115
31X-RAY DIFFRACTION31E116 - 130
32X-RAY DIFFRACTION32E131 - 174

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