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- PDB-1q9x: Crystal structure of Enterobacteria phage RB69 gp43 DNA polymeras... -

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Basic information

Entry
Database: PDB / ID: 1q9x
TitleCrystal structure of Enterobacteria phage RB69 gp43 DNA polymerase complexed with tetrahydrofuran containing DNA
Components
  • 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
  • 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
  • DNA polymerase
KeywordsTransferase / replication/DNA / PROTEIN-DNA COMPLEX / replication-DNA COMPLEX
Function / homology
Function and homology information


bidirectional double-stranded viral DNA replication / Hydrolases; Acting on ester bonds; Exodeoxyribonucleases producing 5'-phosphomonoesters / 3'-5' exonuclease activity / DNA replication / DNA-directed DNA polymerase / DNA-directed DNA polymerase activity / nucleotide binding / DNA binding / metal ion binding
Similarity search - Function
DnaQ-like 3'-5' exonuclease / Monooxygenase - #300 / Ribonuclease H-like motif / DNA-directed DNA polymerase T4 type / DNA Polymerase; Chain A, domain 1 / DNA Polymerase, chain B, domain 1 / B family DNA polymerase, finger domain / Palm domain of DNA polymerase / B family DNA polymerase, palm domain / Monooxygenase ...DnaQ-like 3'-5' exonuclease / Monooxygenase - #300 / Ribonuclease H-like motif / DNA-directed DNA polymerase T4 type / DNA Polymerase; Chain A, domain 1 / DNA Polymerase, chain B, domain 1 / B family DNA polymerase, finger domain / Palm domain of DNA polymerase / B family DNA polymerase, palm domain / Monooxygenase / DNA polymerase family B signature. / DNA-directed DNA polymerase, family B, conserved site / DNA polymerase family B / DNA polymerase family B, exonuclease domain / DNA-directed DNA polymerase, family B, exonuclease domain / DNA-directed DNA polymerase, family B, multifunctional domain / DNA polymerase, palm domain superfamily / DNA polymerase type-B family / DNA-directed DNA polymerase, family B / Ribonuclease H-like superfamily/Ribonuclease H / Helix Hairpins / Nucleotidyltransferase; domain 5 / Ribonuclease H superfamily / Ribonuclease H-like superfamily / DNA/RNA polymerase superfamily / Alpha-Beta Complex / Up-down Bundle / 2-Layer Sandwich / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE / 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE / 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE / DNA / DNA (> 10) / DNA-directed DNA polymerase
Similarity search - Component
Biological speciesEnterobacteria phage RB69 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.69 Å
AuthorsFreisinger, E. / Grollman, A.P. / Miller, H. / Kisker, C.
CitationJournal: Embo J. / Year: 2004
Title: Lesion (in)tolerance reveals insights into DNA replication fidelity.
Authors: Freisinger, E. / Grollman, A.P. / Miller, H. / Kisker, C.
History
DepositionAug 26, 2003Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 27, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 29, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Non-polymer description / Version format compliance
Revision 1.3Oct 27, 2021Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations
Category: chem_comp / database_2 ...chem_comp / database_2 / pdbx_struct_conn_angle / pdbx_unobs_or_zero_occ_atoms / struct_conn / struct_ref_seq_dif / struct_site
Item: _chem_comp.type / _database_2.pdbx_DOI ..._chem_comp.type / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_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_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.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_conn.ptnr2_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
Revision 1.4Aug 16, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
E: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
I: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
F: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
J: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
G: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
K: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
H: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
L: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
A: DNA polymerase
B: DNA polymerase
C: DNA polymerase
D: DNA polymerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)461,11934
Polymers456,75712
Non-polymers4,36122
Water9,638535
1
E: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
I: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
A: DNA polymerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,7597
Polymers114,1893
Non-polymers5694
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
F: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
J: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
B: DNA polymerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)115,1068
Polymers114,1893
Non-polymers9175
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
K: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
C: DNA polymerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)115,80010
Polymers114,1893
Non-polymers1,6117
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
H: 5'-GCGGACTGCTTAC(dideoxycytidine)-3'
L: 5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'
D: DNA polymerase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)115,4539
Polymers114,1893
Non-polymers1,2646
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)131.948, 122.237, 165.358
Angle α, β, γ (deg.)90.00, 96.85, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51A
61B
71C
81D
91A
101B
111C
121D
131A
141B
151C
161D
12E
22F
32G
42H

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDRefine codeAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111GLNGLNPROPRO5AI10 - 50610 - 506
211GLNGLNPROPRO5BJ10 - 50610 - 506
311GLNGLNPROPRO5CK10 - 50610 - 506
411GLNGLNPROPRO5DL10 - 50610 - 506
521LEULEUGLNGLN5AI508 - 754508 - 754
621LEULEUGLNGLN5BJ508 - 754508 - 754
721LEULEUGLNGLN5CK508 - 754508 - 754
821LEULEUGLNGLN5DL508 - 754508 - 754
931GLYGLYLEULEU5AI756 - 835756 - 835
1031GLYGLYLEULEU5BJ756 - 835756 - 835
1131GLYGLYLEULEU5CK756 - 835756 - 835
1231GLYGLYLEULEU5DL756 - 835756 - 835
1341PHEPHELEULEU5AI841 - 880841 - 880
1441PHEPHELEULEU5BJ841 - 880841 - 880
1541PHEPHELEULEU5CK841 - 880841 - 880
1641PHEPHELEULEU5DL841 - 880841 - 880
112DADADGDG4EA910 - 9281 - 18
212DADADGDG4FC910 - 9281 - 18
312DADADGDG4GE910 - 9281 - 18
412DADADGDG4HG910 - 9281 - 18

NCS ensembles :
ID
1
2

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Components

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DNA chain , 2 types, 8 molecules EFGHIJKL

#1: DNA chain
5'-GCGGACTGCTTAC(dideoxycytidine)-3'


Mass: 5566.605 Da / Num. of mol.: 4 / Source method: obtained synthetically
#2: DNA chain
5'-AC(tetrahydrofuran)GGTAAGCAGTCCGCGG-3'


Mass: 3967.585 Da / Num. of mol.: 4 / Source method: obtained synthetically

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Protein , 1 types, 4 molecules ABCD

#3: Protein
DNA polymerase / / 2.7.7.7 / Gp43


Mass: 104655.141 Da / Num. of mol.: 4 / Mutation: D222A, D327A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Enterobacteria phage RB69 (virus) / Genus: T4-like viruses / Gene: 43 / Plasmid: pQE30 / Production host: Escherichia coli (E. coli) / Strain (production host): M15 / References: UniProt: Q38087, DNA-directed DNA polymerase

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Non-polymers , 5 types, 557 molecules

#4: Chemical
ChemComp-3DR / 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE / ABASIC DIDEOXYRIBOSE


Type: DNA linking / Mass: 198.111 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C5H11O6P
#5: Chemical
ChemComp-DOC / 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE


Type: DNA linking / Mass: 291.198 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C9H14N3O6P
#6: Chemical
ChemComp-DGP / 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE / Deoxyguanosine monophosphate


Mass: 347.221 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H14N5O7P
#7: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Ca
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 535 / 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: 2.89 Å3/Da / Density % sol: 57.4 %
Crystal growTemperature: 298 K / pH: 6.5
Details: PEG 350MME, Calcium chloride, Tris-HCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.50
Components of the solutions
IDNameCrystal-IDSol-ID
1PEG 35011
2Calcium chloride11
3Tris-HClTris11
4H2O11
5PEG 35012
6Calcium chloride12
7Tris-HClTris12
8H2O12

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X26C / Wavelength: 1.1
DetectorType: ADSC QUANTUM 4 / Detector: CCD / Date: Sep 10, 2002
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 2.69→47 Å / Num. obs: 137338 / % possible obs: 94.7 % / Observed criterion σ(I): 0 / Redundancy: 4.8 % / Rsym value: 0.113 / Net I/σ(I): 19.1
Reflection shellResolution: 2.69→2.8 Å / Mean I/σ(I) obs: 1.8 / Rsym value: 0.434 / % possible all: 73.3

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Processing

Software
NameVersionClassification
REFMAC5.1.24refinement
DENZOdata reduction
SCALEPACKdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1CLQ

1clq


Resolution: 2.69→47 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.878 / SU B: 15.63 / SU ML: 0.321 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.402 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2879 6841 5 %RANDOM
Rwork0.21512 ---
obs0.21879 130465 94.7 %-
all-142376 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 22.067 Å2
Baniso -1Baniso -2Baniso -3
1--2.45 Å20 Å20.02 Å2
2--2.28 Å20 Å2
3---0.18 Å2
Refinement stepCycle: LAST / Resolution: 2.69→47 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms29460 2532 229 535 32756
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0130.02233266
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.5352.06145518
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.50953608
X-RAY DIFFRACTIONr_dihedral_angle_2_deg
X-RAY DIFFRACTIONr_dihedral_angle_3_deg
X-RAY DIFFRACTIONr_dihedral_angle_4_deg
X-RAY DIFFRACTIONr_chiral_restr0.1060.24707
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.0224496
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.2290.215733
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.1890.21350
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined0.2330.21
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.2290.2200
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.2120.224
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_mcbond_it0.4171.518027
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it0.819229212
X-RAY DIFFRACTIONr_scbond_it1.456315239
X-RAY DIFFRACTIONr_scangle_it2.2954.516306
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-IDDom-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
11A3456medium positional0.550.5
12B3456medium positional0.480.5
13C3456medium positional0.460.5
14D3456medium positional0.470.5
21E662medium positional0.930.5
22F662medium positional0.580.5
23G662medium positional0.620.5
24H662medium positional0.650.5
11A3595loose positional0.945
12B3595loose positional0.755
13C3595loose positional0.735
14D3595loose positional0.715
11A3456medium thermal0.532
12B3456medium thermal0.512
13C3456medium thermal0.542
14D3456medium thermal0.492
21E662medium thermal0.832
22F662medium thermal1.032
23G662medium thermal0.842
24H662medium thermal1.132
11A3595loose thermal1.8310
12B3595loose thermal1.6410
13C3595loose thermal1.7610
14D3595loose thermal1.5410
LS refinement shellResolution: 2.69→2.756 Å / Total num. of bins used: 20 /
RfactorNum. reflection
Rfree0.448 356
Rwork0.341 6989
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)
13.9171-2.3920.23945.9078-2.06351.80540.12990.8527-0.149-0.40160.10670.4741-0.1248-0.2185-0.23660.229-0.012-0.1380.63090.05170.23953.091169.5005138.6228
27.7025-0.69152.13084.7259-1.94263.90230.1839-0.1947-0.84370.4520.09510.6039-0.0065-0.1677-0.27890.1242-0.0070.04760.124-0.01990.313769.28847.8102159.8904
31.3050.2801-0.04992.8707-2.77682.3087-0.14190.38510.06270.20930.04380.20630.0375-0.34670.09820.366-0.0612-0.01070.5509-0.09460.215121.212957.284161.003
47.29750.941-0.48946.19-2.7615.3857-0.11370.7808-1.0536-0.3235-0.1851-0.31830.9806-0.13540.29880.38450.0308-0.05120.57280.02510.527738.105959.5393147.3039
517.9056-4.184-5.267461.697628.20639.38180.59310.50660.069-0.4142-0.0437-1.85221.2767-0.7206-0.54950.8433-0.03-0.01010.89760.09270.982742.947731.6804134.6144
64.97290.8465-0.64531.2077-1.09462.36640.056-0.73650.22870.3914-0.0427-0.656-0.34480.9171-0.01330.3956-0.11670.01110.8228-0.32430.667246.991148.0241187.1131
74.0168-2.3301-0.62643.6093-0.5082.1388-0.02120.4895-0.1031-0.11920.00260.21260.10770.03960.01860.1131-0.0365-0.00060.2493-0.01070.01166.457314.413319.0446
85.19630.58120.63013.9057-1.81654.37650.0522-0.5844-0.22250.9742-0.3126-0.2658-0.15470.68780.26040.40710.0416-0.07310.57520.08080.105827.0015-0.585642.1595
90.9086-0.05680.13892.4344-1.79352.2342-0.12420.1587-0.2266-0.00470.15860.37320.2396-0.2548-0.03440.1927-0.01550.10720.2234-0.08020.2351-22.2953-2.158342.7349
103.99970.4671-0.37128.84982.56626.9775-0.36930.2912-0.8987-0.00380.1535-0.35490.9502-0.13760.21580.1748-0.00840.12640.2788-0.04250.2472-6.00432.419528.8119
119.9074-12.0743-5.137151.09117.965519.8876-0.03920.5061-0.9381-0.08070.7499-0.48292.17380.2144-0.71070.82160.00340.06820.88430.020.91624.9569-24.764918.1638
127.44662.36222.20393.260.63332.3251-0.0477-0.44520.5120.5883-0.165-0.1764-0.08830.25960.21270.47440.08090.03470.1936-0.0110.30925.0586-3.564268.9167
133.6434-1.9733-0.15866.8395-1.40490.93160.33420.54910.3573-0.7795-0.3096-0.13980.17350.0827-0.02460.42260.01960.06670.1376-0.00890.121119.7053134.036899.1181
145.0414-1.2698-1.04822.8947-0.68372.86940.146-0.3423-0.0029-0.0524-0.1674-0.57210.05090.43620.02140.29490.02820.04420.1583-0.02610.3116136.6294109.4805115.9648
150.64380.4116-0.42652.6219-1.78662.34-0.0919-0.08460.09780.03980.19410.2169-0.1787-0.3957-0.10210.14060.05180.02490.1844-0.06410.134591.0368126.8622127.413
164.423-1.77690.9536.30790.69794.42730.17680.0642-0.3696-0.30610.03040.55610.4736-0.0485-0.20720.2895-0.04780.00150.03610.04470.1495105.5264126.4813110.9978
177.6234.50542.31619.97377.73424.17750.23710.5202-1.0592-1.2456-0.05390.87010.4992-0.3198-0.18320.8222-0.0081-0.2750.2089-0.08380.6502102.779299.014796.9827
183.45920.071.08842.325-0.06871.43150.0296-0.39230.01640.2399-0.0548-0.37920.04150.1540.02520.19780.0002-0.06870.1855-0.04750.1241119.5577111.6583146.7187
193.504-2.1523-0.34025.8173-1.41412.09930.29530.50850.5648-0.621-0.3552-0.43670.19730.26670.05980.3275-0.04560.05330.23890.04340.246153.192470.122753.5905
204.8337-1.3559-0.34083.0331-0.90932.40880.237-0.2560.1836-0.1598-0.2657-0.68540.39850.44040.02870.55280.1427-0.02930.2606-0.05070.323866.930343.206870.0594
211.4010.4033-0.20832.6945-1.9622.6294-0.066-0.16470.03790.16470.30580.2595-0.1132-0.5214-0.23990.2376-0.01970.01940.2586-0.01790.125323.471265.257781.5028
224.9365-0.30435.06866.5698-0.17437.85520.63010.0203-0.3043-0.03930.07580.39960.7208-0.2649-0.70590.243-0.07220.00460.1080.06270.19238.097663.590164.9746
235.05081.63142.247817.777.36523.26990.04850.7151-0.6626-0.927-0.31430.54520.072-0.39150.26580.8722-0.1225-0.23780.4644-0.00160.484532.067236.787650.6783
247.73160.98090.45911.9542-0.12632.70410.0343-0.8483-0.70840.31310.1854-0.30750.16280.383-0.21970.41340.0864-0.15710.4055-0.02490.236449.817846.2945100.628
25-0.5527-1.7429-1.97373.61295.713314.23240.48030.10620.33540.22390.4248-0.4064-0.70150.2858-0.90510.7836-0.10580.07940.9891-0.22580.525238.593267.1298183.6989
262.1767-1.67082.35544.42310.732410.0273-0.2967-0.53130.5091.2646-0.0516-0.3225-1.0266-0.34870.34830.7217-0.034-0.05250.3029-0.07450.3658-6.549312.477764.7385
271.3972-1.3333.61722.70692.2436.9096-0.0875-0.1880.18940.38060.3594-0.2889-0.72660.3711-0.27180.3737-0.0961-0.04620.3716-0.1080.2074115.608132.5341145.5365
282.9138-1.19815.52132.6711.327212.15-0.1404-0.4280.19180.46690.4269-0.3956-1.02140.5141-0.28650.5988-0.1137-0.06330.4635-0.12410.247148.606967.442399.9806
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AI1 - 1111 - 111
2X-RAY DIFFRACTION1AI343 - 385343 - 385
3X-RAY DIFFRACTION2AI112 - 342112 - 342
4X-RAY DIFFRACTION3AI386 - 471386 - 471
5X-RAY DIFFRACTION3AI576 - 732576 - 732
6X-RAY DIFFRACTION1AI1 - 1111 - 111
7X-RAY DIFFRACTION1AI343 - 385343 - 385
8X-RAY DIFFRACTION2AI112 - 342112 - 342
9X-RAY DIFFRACTION3AI386 - 471386 - 471
10X-RAY DIFFRACTION3AI576 - 732576 - 732
11X-RAY DIFFRACTION4AI472 - 487472 - 487
12X-RAY DIFFRACTION4AI556 - 575556 - 575
13X-RAY DIFFRACTION5AI488 - 555488 - 555
14X-RAY DIFFRACTION6AI733 - 903733 - 903
15X-RAY DIFFRACTION7BJ1 - 1111 - 111
16X-RAY DIFFRACTION7BJ343 - 385343 - 385
17X-RAY DIFFRACTION8BJ112 - 342112 - 342
18X-RAY DIFFRACTION9BJ386 - 471386 - 471
19X-RAY DIFFRACTION9BJ576 - 732576 - 732
20X-RAY DIFFRACTION10BJ472 - 487472 - 487
21X-RAY DIFFRACTION10BJ556 - 575556 - 575
22X-RAY DIFFRACTION11BJ488 - 555488 - 555
23X-RAY DIFFRACTION12BJ733 - 903733 - 903
24X-RAY DIFFRACTION13CK1 - 1111 - 111
25X-RAY DIFFRACTION13CK343 - 385343 - 385
26X-RAY DIFFRACTION14CK112 - 342112 - 342
27X-RAY DIFFRACTION15CK386 - 471386 - 471
28X-RAY DIFFRACTION15CK576 - 732576 - 732
29X-RAY DIFFRACTION16CK472 - 487472 - 487
30X-RAY DIFFRACTION16CK556 - 575556 - 575
31X-RAY DIFFRACTION17CK488 - 555488 - 555
32X-RAY DIFFRACTION18CK733 - 903733 - 903
33X-RAY DIFFRACTION19DL1 - 1111 - 111
34X-RAY DIFFRACTION19DL343 - 385343 - 385
35X-RAY DIFFRACTION20DL112 - 342112 - 342
36X-RAY DIFFRACTION21DL386 - 471386 - 471
37X-RAY DIFFRACTION21DL576 - 732576 - 732
38X-RAY DIFFRACTION22DL472 - 487472 - 487
39X-RAY DIFFRACTION22DL556 - 575556 - 575
40X-RAY DIFFRACTION23DL488 - 555488 - 555
41X-RAY DIFFRACTION24DL733 - 903733 - 903
42X-RAY DIFFRACTION25EA910 - 9281 - 18
43X-RAY DIFFRACTION26FC910 - 9281 - 18
44X-RAY DIFFRACTION27GE910 - 9281 - 18
45X-RAY DIFFRACTION28HG910 - 9281 - 18

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