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- PDB-7xm0: Crystal structure of Sau3AI-C and DNA substrate complex -

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Basic information

Entry
Database: PDB / ID: 7xm0
TitleCrystal structure of Sau3AI-C and DNA substrate complex
Components
  • DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
  • Type II restriction enzyme Sau3AI
KeywordsDNA BINDING PROTEIN/DNA / Sau3AI / restriction endonuclease / Protein-DNA complex / enzyme mechanism / DNA BINDING PROTEIN / DNA BINDING PROTEIN-DNA complex
Function / homology
Function and homology information


type II site-specific deoxyribonuclease / type II site-specific deoxyribonuclease activity / DNA restriction-modification system / DNA binding
Similarity search - Function
DNA mismatch repair MutH/Type II restriction enzyme Sau3AI / DNA mismatch repair enzyme MutH / DNA mismatch repair enzyme MutH / DNA mismatch repair MutH/Type II restriction endonuclease superfamily / Restriction endonuclease type II-like
Similarity search - Domain/homology
DNA / Type II restriction enzyme Sau3AI
Similarity search - Component
Biological speciesStaphylococcus aureus (bacteria)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsYahui, L. / Feng, Y. / Jianhua, H.
Funding support China, 4items
OrganizationGrant numberCountry
Ministry of Science and Technology (MoST, China)2021YFC2301405 China
National Natural Science Foundation of China (NSFC)31971121 China
National Natural Science Foundation of China (NSFC)81861138047 China
National Natural Science Foundation of China (NSFC)U1932130 China
CitationJournal: To Be Published
Title: The Self-Activation Mechanism of Type IIE Restriction Endonuclease Sau3AI
Authors: Yahui, L. / Feng, Y. / Jianhua, H.
History
DepositionApr 23, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Apr 26, 2023Provider: repository / Type: Initial release
Revision 2.0Jul 19, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / entity / ndb_struct_na_base_pair / ndb_struct_na_base_pair_step / pdbx_contact_author / pdbx_entity_instance_feature / pdbx_entry_details / pdbx_nonpoly_scheme / pdbx_refine_tls / pdbx_refine_tls_group / pdbx_struct_assembly_prop / pdbx_struct_conn_angle / pdbx_struct_sheet_hbond / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / pdbx_validate_torsion / refine / refine_hist / refine_ls_restr / refine_ls_shell / software / struct_conf / struct_conn / struct_sheet_range
Item: _entity.pdbx_number_of_molecules / _ndb_struct_na_base_pair.buckle ..._entity.pdbx_number_of_molecules / _ndb_struct_na_base_pair.buckle / _ndb_struct_na_base_pair.opening / _ndb_struct_na_base_pair.propeller / _ndb_struct_na_base_pair.shear / _ndb_struct_na_base_pair.stagger / _ndb_struct_na_base_pair.stretch / _ndb_struct_na_base_pair_step.helical_rise / _ndb_struct_na_base_pair_step.helical_twist / _ndb_struct_na_base_pair_step.inclination / _ndb_struct_na_base_pair_step.rise / _ndb_struct_na_base_pair_step.roll / _ndb_struct_na_base_pair_step.shift / _ndb_struct_na_base_pair_step.slide / _ndb_struct_na_base_pair_step.tilt / _ndb_struct_na_base_pair_step.tip / _ndb_struct_na_base_pair_step.twist / _ndb_struct_na_base_pair_step.x_displacement / _ndb_struct_na_base_pair_step.y_displacement / _pdbx_entry_details.has_ligand_of_interest / _pdbx_struct_assembly_prop.value / _pdbx_struct_sheet_hbond.range_1_auth_comp_id / _pdbx_struct_sheet_hbond.range_1_auth_seq_id / _pdbx_struct_sheet_hbond.range_1_label_comp_id / _pdbx_struct_sheet_hbond.range_1_label_seq_id / _pdbx_struct_sheet_hbond.range_2_auth_comp_id / _pdbx_struct_sheet_hbond.range_2_auth_seq_id / _pdbx_struct_sheet_hbond.range_2_label_comp_id / _pdbx_struct_sheet_hbond.range_2_label_seq_id / _refine.B_iso_mean / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.overall_SU_ML / _refine.pdbx_overall_phase_error / _refine_hist.number_atoms_solvent / _refine_hist.number_atoms_total / _refine_hist.pdbx_number_atoms_nucleic_acid / _refine_hist.pdbx_number_atoms_protein / _refine_ls_restr.dev_ideal / _refine_ls_restr.number / _refine_ls_shell.R_factor_R_free / _refine_ls_shell.R_factor_R_work / _refine_ls_shell.percent_reflns_obs / _struct_conf.beg_auth_asym_id / _struct_conf.beg_auth_comp_id / _struct_conf.beg_auth_seq_id / _struct_conf.beg_label_asym_id / _struct_conf.beg_label_comp_id / _struct_conf.beg_label_seq_id / _struct_conf.end_auth_asym_id / _struct_conf.end_auth_comp_id / _struct_conf.end_auth_seq_id / _struct_conf.end_label_asym_id / _struct_conf.end_label_comp_id / _struct_conf.end_label_seq_id / _struct_conf.pdbx_PDB_helix_class / _struct_conf.pdbx_PDB_helix_length / _struct_sheet_range.end_auth_comp_id / _struct_sheet_range.end_auth_seq_id / _struct_sheet_range.end_label_comp_id / _struct_sheet_range.end_label_seq_id
Description: Ligand identity
Details: The methyl group of all Thymine bases in the csau-DNA structure were missing. We add it back to all the Thymine bases.
Provider: author / Type: Coordinate replacement
Revision 2.1Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Type II restriction enzyme Sau3AI
B: Type II restriction enzyme Sau3AI
C: Type II restriction enzyme Sau3AI
D: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
E: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
F: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
G: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
H: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
I: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)118,54212
Polymers118,4699
Non-polymers733
Water77543
1
A: Type II restriction enzyme Sau3AI
D: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
E: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,5144
Polymers39,4903
Non-polymers241
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4600 Å2
ΔGint-24 kcal/mol
Surface area14680 Å2
MethodPISA
2
B: Type II restriction enzyme Sau3AI
F: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
G: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,5144
Polymers39,4903
Non-polymers241
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4670 Å2
ΔGint-24 kcal/mol
Surface area14290 Å2
MethodPISA
3
C: Type II restriction enzyme Sau3AI
H: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
I: DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,5144
Polymers39,4903
Non-polymers241
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4740 Å2
ΔGint-24 kcal/mol
Surface area13890 Å2
MethodPISA
Unit cell
Length a, b, c (Å)62.943, 98.391, 209.455
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

#1: Protein Type II restriction enzyme Sau3AI / R.Sau3AI / Endonuclease Sau3AI / Type-2 restriction enzyme Sau3AI


Mass: 33401.582 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: sau3AIR / Production host: Escherichia coli (E. coli)
References: UniProt: P16667, type II site-specific deoxyribonuclease
#2: DNA chain
DNA (5'-D(*CP*AP*TP*GP*AP*TP*CP*AP*TP*G)-3')


Mass: 3044.017 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 43 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 2.74 Å3/Da / Density % sol: 55.07 %
Crystal growTemperature: 289.15 K / Method: evaporation / pH: 6.5 / Details: 13% PEG 3350, 0.1 M MES (pH 6.5)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.9789 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 11, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9789 Å / Relative weight: 1
ReflectionResolution: 2.6→42.23 Å / Num. obs: 40245 / % possible obs: 98.26 % / Redundancy: 7 % / Biso Wilson estimate: 58.08 Å2 / Rmerge(I) obs: 0.087 / Net I/σ(I): 22.45
Reflection shellResolution: 2.6→2.693 Å / Rmerge(I) obs: 0.384 / Num. unique obs: 40245

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PHENIX1.20.1_4487refinement
HKL-2000v722data reduction
HKL-2000v722data scaling
PHENIX1.20.1_4487phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2REU

2reu


Resolution: 2.6→42.23 Å / SU ML: 0.3838 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.8192
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2397 2027 5.04 %
Rwork0.1933 38218 -
obs0.1956 40245 98.04 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 69.92 Å2
Refinement stepCycle: LAST / Resolution: 2.6→42.23 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6320 1212 3 43 7578
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00327833
X-RAY DIFFRACTIONf_angle_d0.624910801
X-RAY DIFFRACTIONf_chiral_restr0.0431128
X-RAY DIFFRACTIONf_plane_restr0.00541186
X-RAY DIFFRACTIONf_dihedral_angle_d22.6291377
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6-2.660.40281440.34532489X-RAY DIFFRACTION90.67
2.66-2.730.36111350.30462670X-RAY DIFFRACTION97.29
2.73-2.810.32951450.2742649X-RAY DIFFRACTION98.1
2.81-2.910.31631430.27022699X-RAY DIFFRACTION98.03
2.91-3.010.30231300.24662718X-RAY DIFFRACTION98.38
3.01-3.130.30321550.24732722X-RAY DIFFRACTION99
3.13-3.270.29651570.25182686X-RAY DIFFRACTION98.03
3.27-3.440.31391420.21322673X-RAY DIFFRACTION96.9
3.44-3.660.21741380.20082764X-RAY DIFFRACTION99.04
3.66-3.940.23461510.18592781X-RAY DIFFRACTION99.9
3.94-4.340.19421490.15882777X-RAY DIFFRACTION99.93
4.34-4.970.18721500.15072822X-RAY DIFFRACTION100
4.97-6.250.19681430.16162859X-RAY DIFFRACTION99.93
6.25-42.230.20931450.16262909X-RAY DIFFRACTION97.23
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)
14.83191260177-0.810684268313-2.718171363244.20933361267-0.2737004002366.753582415840.06043427801320.1486760441090.210204751805-0.1961807860160.01491510932890.623647279612-0.337390745376-0.924544899725-0.1230521593680.335723520434-0.00998547011706-0.0938559171250.40558009959-0.04325175684150.557230690202-41.4524319144-4.99048159212-15.8412230858
24.575023468580.571925462738-0.6392358553783.826022953931.296201834856.585540346230.139575254196-0.4278808399830.5074882178440.313318719134-0.202189163510.0590684645281-0.1911606463340.7306263043690.02376601607460.323418916231-0.02981945470270.06436624564450.3303721252670.02160322556630.495362278752-19.112433972-6.72310596638-4.25909627965
35.189955567531.746927591623.135114096183.169276103861.435707473847.298713070990.173102935543-0.28041764605-0.1549252721760.131162766034-0.1943857422570.05040052486630.199910084277-0.153931796976-0.05585397717210.264531526693-0.04713309573480.07077262081760.2560223174280.00349995143050.43405849963-26.5350200866-12.143515432-5.89936588915
45.739952065840.537748033143-1.456631412192.51931110873-0.4563917588244.010496515370.0318815809264-0.0707250940469-0.206527147469-0.135041875677-0.0832767649255-0.7194805003170.09247624009250.6831037358930.07709138407940.3607970421350.05553459790360.02691770769160.379763435851-0.04377974338310.640651905254-9.31985922564-9.61583668809-14.6725816604
52.94529377323-3.08927684412.455139604755.01901773154-0.3066829570786.057566485450.6941260645881.210175472940.103912923411-1.49872652321-0.4491625955140.4116978815110.09249476938910.623480019798-0.2256734054081.288344589890.11647491562-0.2955443444130.621346300931-0.01904235536540.576410327001-16.6235397865-39.1092084728-52.2559768224
61.576454418260.3777697664340.03509124301630.9120203385061.956199779816.90535923492-0.08753121255310.543528288785-0.865391720284-0.591923105833-0.2095753199590.630928951031.44710056471-0.3709882991060.1685591156911.145181988180.00546803633724-0.3738097289910.4421519122220.02319480725070.923930699375-21.5884266218-44.475017538-41.9785894578
74.101270352213.22514193175-0.08802808137313.222356409391.40626034953.214099105910.4072594662260.19037733954-1.95810693565-0.494378278521-0.0872214922341-0.4218915288660.7063934935130.633780357014-0.2715133010681.645755534470.406128138751-0.3752043582710.794935690569-0.1073695264331.16420962022-11.2453077869-51.0606667443-52.5655190276
88.66078387066-3.74719544622-0.2743137490995.896037552352.399865368794.849142449270.1651298997910.4149810985390.315295265238-0.4750927968-0.3967046180350.0915641083113-0.011060109837-0.2964086104470.2281273833750.8319498059450.040959754498-0.2084745748810.4078750186040.003444856786730.534438422583-13.3654318426-33.3124925278-36.4970738924
95.591903264530.328837626374-0.4737686365693.98345410681-0.4691140799835.45498709040.517784614872-0.117681125457-0.729007683797-0.201010639491-0.204883117153-0.5425681515151.055107973741.09155777385-0.2369493410190.922731888550.286944481452-0.2371730363670.612446475496-0.1404539707550.6337209529576.23053928349-50.0775431246-27.0185539753
104.536893542070.8423409566773.053261878523.09492876729-1.13149863516.207791643110.1335000272220.5238686117790.367965080791-1.11952545742-0.0279703093487-0.1479769788820.4351772076730.445469359253-0.1948052715260.8760971499450.158240214932-0.09839878551550.447899903834-0.05111303781530.510413859313-5.63637015292-36.6528153106-39.9424531191
113.245674264560.885790187869-4.45287831522.39102155059-1.580695048027.14404601390.2559334574140.00857688866942-0.0427858895457-0.183474066986-0.08709623533190.1387009238180.2655953558190.228828978694-0.1228405384170.4844122102380.0385638279797-0.2060576581910.380287925471-0.08945286348920.55301166888-5.88506394682-41.2520764118-14.3804650415
121.428898223570.678275868824-0.5266946222421.48154983785-0.4550949814547.851195564330.156883247031-0.05391240316960.16544049989-0.1489817149870.1255238164940.3297586290930.1910233755980.0521296155915-0.2370308616780.4670816470820.113890984446-0.2031027098310.320289615717-0.08064385290690.589823332735-8.05264946509-43.1347375133-19.9745262637
134.60690178495-1.39357509979-1.962168873152.885096854410.9518820812686.97171313947-0.3077195891270.4575078830920.0558273806771-0.580284350670.1211355782930.5633628236310.0166967750025-0.7876484050430.3056412319171.11170407170.0312194673401-0.3200878221330.508811962747-0.0901955325020.698442108674-40.9260563521-72.3115722169-46.9008658169
140.811464125805-1.329521334661.160647776232.67457230353-1.804235182044.81984414933-0.1233626837570.2026014186490.615823530918-0.9158371931030.321455654309-0.733040048601-0.522007568047-0.161810666645-0.08880259166711.10715019717-0.1179320794-0.2172319171580.393273154155-0.04512641160610.905690191868-30.5066290755-69.5233904733-41.498849422
153.02963592481-0.4297311456120.6733685909952.095427812581.58140782074.50722789454-0.3258517102610.1701573508350.955120700274-1.37097694287-0.129592986107-0.557459189263-1.57810436449-0.1186493542680.4632248136931.506840044790.0441114724712-0.2780855842010.554506739032-0.010415354641.01899141531-40.6872551276-60.7710757528-47.595740237
166.86818315544-2.282674543731.158603870314.56276075859-0.9150990509066.62219035445-0.124245493852-0.3069195677270.829010452641-0.0645151088057-0.05733533651020.193136620676-0.631214936358-1.132045581180.06753688345460.8772170071970.0648314493691-0.3117634212290.6377654063-0.2072662920020.850128095762-43.1045489239-67.0156286553-34.9221394455
175.078066127350.08182924302061.197739273834.930799289551.485515492792.33719510752-0.272102114174-0.6332499868920.311367639169-0.5612856164680.008119516489440.401450759047-1.03730683332-0.1260870809720.2853322145460.6607761546210.0367259113542-0.1414832283820.429613865884-0.02396029393720.67444493559-32.6474175103-74.8075442117-23.6645788055
182.4069292891-0.1602643177650.8642234185255.000300775312.353883430352.3099218179-0.387724051735-1.234033195820.6590583932860.7375309605-0.4054019686140.632320955718-1.85043622133-1.642710585850.7726784181131.020006912590.295897251552-0.1880935879771.16650602726-0.4079933220441.12845397656-44.5978257289-66.118123062-15.4984547485
196.55853569878-1.16255752447-0.4559857111485.371759915090.9817459231088.11354422894-0.4364447737080.1022188559410.13596909781-0.9755978512960.1162017083310.497795038792-0.595595125654-0.1867671888740.4297008310630.81485949059-0.0391482071917-0.2601169845080.486096066314-0.1657932231540.703680508346-39.168690044-79.6654681099-39.0243115028
202.845879598040.05544787936232.489984968841.9692860711-0.5995011868424.32569557067-0.399483790434-1.631892860810.650960338250.619835522296-0.4807052497961.10636226952-0.566897142378-1.690482142580.8308884256650.7992196027430.2202943866130.03013657279721.25360331424-0.4700331981310.950338428606-42.9638941518-74.9177656945-12.9775896396
219.63054109344-0.05269157508940.01291385709496.753114478071.289549924465.68220881404-0.0432789854885-0.755742319580.1534501270430.4257777070160.224267956281-0.826829590557-0.2510465072460.7873442077850.03218413695120.7163224360560.00674529133044-0.2693730456680.514344529103-0.05804700882530.725642991768-17.8468130004-76.3294686065-11.1982632554
228.26941650491.24348409251.027586608474.332526199020.5634110977283.62642247286-0.213358577453-1.09180715389-0.6727655996830.420056433456-0.01488322206940.2357090982060.185878316105-0.3560824622420.1794136287870.6181143168230.0566547309474-0.09582560836650.513178438366-0.04650522022520.57620925451-28.5530511075-78.9182777838-15.1626115151
232.772716943860.337634899890.3372192587533.715097951390.2470766118574.83825950586-0.0757137891508-0.4626456460540.2815585584050.355818030975-0.0322000635249-0.612196071982-0.4193130613790.6684772172420.2616494114240.663863313823-0.00678226930455-0.2701720913290.534495977199-0.1392463426630.816037040693-18.0584091086-68.1952690512-11.7232031164
246.729066597961.697895970521.842177271836.098300611130.729748556911.27349427643-0.649230586477-1.364421020130.9555157510370.40013833888-0.3040214867170.25313070444-0.597084462711-0.5124773411550.9178270978340.6509871946050.0436715441899-0.1334227548090.505570554053-0.1448522837610.549395960112-25.5104551041-69.4916756048-14.9111160948
253.24742073047-0.838842831822-1.992268276295.92944233071-2.154990326322.454716556440.207841057453-0.482128935368-0.505159531785-0.870711888462-0.2132941102860.4642246744320.632439914367-1.633369614440.2025381110490.592988210685-0.0892812928429-0.1241523359590.775490494365-0.1131465169530.866849538003-42.4390039603-83.9269441831-30.4955972021
267.22541303938-3.533030168160.02022468191824.831927864081.710108798588.35426379582-0.06470911724540.111819770711-0.518538470717-0.439928678166-0.0814161325851-0.2476427379120.09995219521040.4156643567510.08586546079290.314522031181-0.01971569771750.04932987304990.278562352718-0.009284193050770.474018538281-19.5239496147-8.90094299218-22.2593631366
274.24097008036-0.7116472550323.237579398563.66171058565-4.876587793357.72364393079-0.124393332041-0.1319441657950.49961527062-0.6107054682460.0112746202978-0.4458849842030.2847651750880.1217124937490.1524553489380.4061203446320.02487561127760.06031506516270.294577561768-0.1135509780970.611922035858-18.3912021297-9.06371543546-22.6077353783
286.61729440568-2.08274866523-1.995684145943.373951631251.836497897033.905178962060.320484223818-0.432170058146-0.00518455120487-0.110145048693-0.0502120722640.053181377670.565191805451-0.18608083156-0.1587787825450.8334381838530.00399396974911-0.2718010045120.3304092683230.009864940249320.700004904596-17.9081697309-42.3187691801-26.8250440387
292.26361050147-0.248252439386-0.09319341483696.277401120561.820283307232.85369354141-0.243383514151-0.001961115602710.287726602797-1.086233655180.07437534006860.4410062865040.0245961817053-0.3730281451350.07355327672570.7425711904550.0014714625746-0.3363645925830.334449465496-0.01885421502310.793941768902-18.3096905731-42.480280249-25.4701995866
302.620156855550.504121643409-1.279165978253.27032137849-2.982259258693.34951232444-0.5285000043160.1138879495420.678380744633-0.9378956146920.15446329185-0.156350250892-0.52776946958-0.1188126014850.3949410840150.95849819792-0.0550153871989-0.1823653879160.3243753099740.01141976251620.818327783818-22.7662685355-74.1644819295-27.3164860736
310.5193236889621.0160897249-0.9850221003312.21599009236-2.228358271833.39663359899-0.970651993879-0.4406494077550.9627461321440.420398501724-0.424890002129-1.14355583894-0.5590307277340.397337857956-0.05887248325111.06757543241-0.108330163876-0.4858791646250.19413020997-0.2081675978610.979853588741-23.7439446058-73.9493993992-28.1087878434
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 232 through 308 )AA232 - 3081 - 77
22chain 'A' and (resid 309 through 342 )AA309 - 34278 - 111
33chain 'A' and (resid 343 through 396 )AA343 - 396112 - 165
44chain 'A' and (resid 397 through 489 )AA397 - 489166 - 258
55chain 'B' and (resid 236 through 259 )BB236 - 2591 - 24
66chain 'B' and (resid 260 through 277 )BB260 - 27725 - 42
77chain 'B' and (resid 278 through 300 )BB278 - 30043 - 65
88chain 'B' and (resid 301 through 318 )BB301 - 31866 - 83
99chain 'B' and (resid 319 through 342 )BB319 - 34284 - 107
1010chain 'B' and (resid 343 through 383 )BB343 - 383108 - 148
1111chain 'B' and (resid 384 through 418 )BB384 - 418149 - 183
1212chain 'B' and (resid 419 through 489 )BB419 - 489184 - 254
1313chain 'C' and (resid 236 through 260 )CC236 - 2601 - 25
1414chain 'C' and (resid 261 through 278 )CC261 - 27826 - 43
1515chain 'C' and (resid 279 through 292 )CC279 - 29244 - 57
1616chain 'C' and (resid 293 through 308 )CC293 - 30858 - 73
1717chain 'C' and (resid 309 through 329 )CC309 - 32974 - 94
1818chain 'C' and (resid 330 through 351 )CC330 - 35195 - 111
1919chain 'C' and (resid 352 through 374 )CC352 - 374112 - 134
2020chain 'C' and (resid 375 through 395 )CC375 - 395135 - 155
2121chain 'C' and (resid 396 through 413 )CC396 - 413156 - 173
2222chain 'C' and (resid 414 through 433 )CC414 - 433174 - 193
2323chain 'C' and (resid 434 through 463 )CC434 - 463194 - 223
2424chain 'C' and (resid 464 through 477 )CC464 - 477224 - 237
2525chain 'C' and (resid 478 through 489 )CC478 - 489238 - 249
2626chain 'D' and (resid 1 through 10 )DD1 - 10
2727chain 'E' and (resid 1 through 10 )EE1 - 10
2828chain 'F' and (resid 1 through 10 )FF1 - 10
2929chain 'G' and (resid 1 through 10 )GG1 - 10
3030chain 'H' and (resid 1 through 10 )HH1 - 10
3131chain 'I' and (resid 1 through 10 )II1 - 10

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