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Yorodumi

- PDB-7v6w: Crystal structure of heterohexameric Sa2YoeB-Sa2YefM complex boun... -

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Open data

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Basic information

Entry

Database: PDB / ID: 7v6w

Title

Crystal structure of heterohexameric Sa2YoeB-Sa2YefM complex bound to 26bp-DNA

Components

Antitoxin
DNA (25-MER)
DNA (26-MER)
Putative mRNA interferase YoeB

Keywords

DNA BINDING PROTEIN/ANTITOXIN/DNA / Toxin-antitoxin-DNA ternary complex / DNA BINDING PROTEIN / DNA BINDING PROTEIN-ANTITOXIN-DNA complex

Function / homology

Function and homology information

global gene silencing by mRNA cleavage / RNA catabolic process / endonuclease activity / negative regulation of DNA-templated transcription
Similarity search - Function

Biological species

Staphylococcus aureus (bacteria)

Staphylococcus aureus subsp. aureus NCTC 8325 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.55 Å

Authors

Xue, L. / Khan, M.H. / Yue, J.

Funding support

China, 1items

Citation

Journal: J.Biol.Chem. / Year: 2022
Title: The two paralogous copies of the YoeB-YefM toxin-antitoxin module in Staphylococcus aureus differ in DNA binding and recognition patterns.
Authors: Xue, L. / Khan, M.H. / Yue, J. / Zhu, Z. / Niu, L.

History

Deposition	Aug 20, 2021	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Dec 15, 2021	Provider: repository / Type: Initial release
Revision 1.1	Feb 16, 2022	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.year
Revision 1.2	Nov 29, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	7v6w.cif.gz	611.9 KB	Display	PDBx/mmCIF format
PDB format	pdb7v6w.ent.gz	416.5 KB	Display	PDB format
PDBx/mmJSON format	7v6w.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7v6w_validation.pdf.gz	519.9 KB	Display	wwPDB validaton report
Full document	7v6w_full_validation.pdf.gz	526.4 KB	Display
Data in XML	7v6w_validation.xml.gz	34 KB	Display
Data in CIF	7v6w_validation.cif.gz	48.6 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/v6/7v6w ftp://data.pdbj.org/pub/pdb/validation_reports/v6/7v6w	HTTPS FTP

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Related structure data

Related structure data	7v5ySC 7v5zC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7v6w-2 6l8e-2 4dxe-2 3zkd-3 6l8e-1 3zkb-6 6rh2-d 3zkb-7 1kyq-1 6rh1-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#67 - Jul 2005 TATA-Binding Protein similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #253 - Jan 2021 Expressome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #84 - Dec 2006 Transposase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #227 - Nov 2018 Telomerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #135 - Mar 2011 Integrase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

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Assembly

Deposited unit

F: Putative mRNA interferase YoeB

B: Antitoxin

C: Antitoxin

A: Antitoxin

E: Putative mRNA interferase YoeB

M: Putative mRNA interferase YoeB

L: Antitoxin

I: Antitoxin

K: Antitoxin

N: Putative mRNA interferase YoeB

D: Antitoxin

J: Antitoxin

G: DNA (26-MER)

H: DNA (25-MER)

P: DNA (25-MER)

O: DNA (26-MER)

153 kDa, 16 polymers
Search similar-shape structures of this assembly by Omokage search (details)

F: Putative mRNA interferase YoeB

B: Antitoxin

C: Antitoxin

A: Antitoxin

E: Putative mRNA interferase YoeB

D: Antitoxin

G: DNA (26-MER)

H: DNA (25-MER)

defined by author&software
Evidence: light scattering
76.7 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

M: Putative mRNA interferase YoeB

L: Antitoxin

I: Antitoxin

K: Antitoxin

N: Putative mRNA interferase YoeB

J: Antitoxin

P: DNA (25-MER)

O: DNA (26-MER)

defined by author&software
76.7 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	236.609, 66.358, 129.098
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2
Space group name Hall	P22ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x+1/2,y+1/2,-z #4: -x,-y,z

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Components

#1: Protein	Putative mRNA interferase YoeB / Toxin YoeB Mass: 10808.412 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (strain NCTC 8325 / PS 47) (bacteria) Strain: NCTC 8325 / PS 47 / Gene: SAOUHSC_02756 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q2FVF8
#2: Protein	Antitoxin / Sa2YefM Mass: 9783.692 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (strain NCTC 8325 / PS 47) (bacteria) Strain: NCTC 8325 / PS 47 / Gene: SAOUHSC_02757 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q2FVF7
#3: DNA chain	DNA (26-MER) Mass: 7978.151 Da / Num. of mol.: 2 / Source method: obtained synthetically Source: (synth.) Staphylococcus aureus subsp. aureus NCTC 8325 (bacteria)
#4: DNA chain	DNA (25-MER) Mass: 7996.180 Da / Num. of mol.: 2 / Source method: obtained synthetically Source: (synth.) Staphylococcus aureus subsp. aureus NCTC 8325 (bacteria)
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 113 / Source method: isolated from a natural source / Formula: H₂O

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Experimental details

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 3.31 Å³/Da / Density % sol: 62.85 %
Crystal grow	Temperature: 289.15 K / Method: vapor diffusion, sitting drop Details: 0.02 M Magnesium chloride hexahydrate, 0.05 M Sodium cacodylate trihydrate pH 7.0, 15% v/v 2-Propanol, 0.001 M Hexamine cobalt (III) chloride, 0.001 M Spermine

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.97918 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 13, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.55→50 Å / Num. obs: 66262 / % possible obs: 98.6 % / Redundancy: 6.6 % / CC_1/2: 0.993 / Net I/σ(I): 17.4
Reflection shell	Resolution: 2.55→2.59 Å / Num. unique obs: 3168 / CC_1/2: 0.79

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Processing

Software

Name	Version	Classification
PHENIX	1.15.2_3472	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 7V5Y

7v5y

Resolution: 2.55→49.95 Å / SU ML: 0.3093 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.9852
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2309	3328	5.03 %
R_work	0.1906	62825	-
obs	0.1926	66153	98.04 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 59.92 Å²

Refinement step

Cycle: LAST / Resolution: 2.55→49.95 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7595	2083	0	113	9791

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0025	10066
X-RAY DIFFRACTION	f_angle_d	0.4753	14048
X-RAY DIFFRACTION	f_chiral_restr	0.0392	1563
X-RAY DIFFRACTION	f_plane_restr	0.0021	1443
X-RAY DIFFRACTION	f_dihedral_angle_d	19.8779	5732

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.55-2.59	0.3332	138	0.2735	2728	X-RAY DIFFRACTION	87.27
2.59-2.64	0.3035	144	0.2759	3062	X-RAY DIFFRACTION	95.5
2.64-2.69	0.3584	162	0.2822	3018	X-RAY DIFFRACTION	96.39
2.69-2.74	0.3195	134	0.2752	3080	X-RAY DIFFRACTION	96.63
2.74-2.8	0.3031	150	0.2559	3089	X-RAY DIFFRACTION	97.27
2.8-2.87	0.3106	165	0.2461	3082	X-RAY DIFFRACTION	97.27
2.87-2.94	0.2877	153	0.2462	3105	X-RAY DIFFRACTION	98.43
2.94-3.02	0.2743	173	0.2318	3179	X-RAY DIFFRACTION	98.79
3.02-3.11	0.2838	175	0.2237	3090	X-RAY DIFFRACTION	99.18
3.11-3.21	0.24	173	0.213	3157	X-RAY DIFFRACTION	99.08
3.21-3.32	0.276	188	0.2057	3153	X-RAY DIFFRACTION	98.85
3.32-3.46	0.2063	170	0.1777	3137	X-RAY DIFFRACTION	99.16
3.46-3.61	0.2034	159	0.1766	3192	X-RAY DIFFRACTION	99.82
3.61-3.8	0.2387	182	0.1882	3177	X-RAY DIFFRACTION	99.44
3.8-4.04	0.2244	178	0.184	3190	X-RAY DIFFRACTION	99.59
4.04-4.35	0.1905	169	0.1548	3190	X-RAY DIFFRACTION	99.2
4.35-4.79	0.1843	179	0.1478	3238	X-RAY DIFFRACTION	99.91
4.79-5.49	0.2196	164	0.1676	3264	X-RAY DIFFRACTION	100
5.49-6.91	0.2199	178	0.1899	3285	X-RAY DIFFRACTION	99.97
6.91-49.95	0.1939	194	0.1622	3409	X-RAY DIFFRACTION	98.6

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°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)
1	3.10007632666	-0.943631933027	-2.50361220296	5.38175660038	0.0180162089569	3.66207236095	-0.540648231363	-0.261926616702	0.882471733682	0.645245761293	0.0370705106065	0.0169606903699	-0.0969226961404	1.25375733326	0.264021359569	0.514387810903	-0.144433974184	-0.0287988336141	0.475397547683	-0.291297203133	0.607769762849	284.470973162	30.4407814153	66.9221947111
2	3.32047625069	0.000630920413033	-0.358896905835	2.80007012215	-0.0647034596631	3.4391807041	-0.0287420819572	-0.668363793883	0.24182771918	0.434913770348	-0.109460845872	0.101583888726	-0.40818642394	0.113564042439	0.141477064509	0.411965732678	-0.0746541520995	0.0236808636538	0.412532432946	-0.139832972666	0.391709293229	276.795330534	21.338036751	68.3461291581
3	1.67494252454	-0.474229718858	0.84969420746	2.39546864785	0.149507384182	3.05474896547	0.109180611569	-0.113672031418	0.292843669729	0.0294950860138	0.0431156097958	0.166717463272	-0.599720673497	0.168314026738	-0.137212429736	0.372567251044	-0.0627510570265	0.0466478117999	0.306569493965	-0.134391503613	0.433991896481	276.297595766	21.6973420578	61.1413983112
4	2.3871635654	0.889429693537	-2.85674998994	3.20040864663	0.622141082339	4.35014374862	-0.224932849211	0.245230846448	-1.01594324336	0.18896510324	0.304810551981	0.0590675195445	-0.102735231512	-0.498985266888	-0.222299946705	0.379583377127	-0.0377165261256	0.0287628062753	0.647574086521	0.140198045655	0.463111472096	276.780583685	-7.66387391602	82.9015994022
5	3.12124835665	-2.62276797743	-0.431049143952	5.8311275264	1.41846153124	7.21424640711	-0.0347052156356	-0.691143023791	-0.695809556956	0.363472896671	0.469422509065	0.601248475397	0.253898964118	-0.42394518024	-0.345406724107	0.374488703503	-0.055490013639	0.0380854499188	0.511634069205	0.0989430753851	0.498139972993	271.939203503	-8.66957405479	76.8448166069
6	1.40319192959	-0.74629267485	-0.0528052218683	6.57143823975	4.58753729268	9.76335219197	-0.312424563122	-0.808195823547	0.802478528433	0.00412338831665	0.1007004565	0.604340356399	-0.624850621136	0.00835588396148	0.0697321815184	0.351088771052	0.0465589626677	0.0467865698062	0.475125268534	-0.0579494069713	0.370719353968	274.206202804	1.19534477136	77.8414178247
7	6.31709617662	-4.4386198103	1.49950926812	7.93302533222	-3.11186413117	4.14460435294	0.326101146771	-0.162713670091	0.114532267246	0.167763304079	-0.253679990157	0.0700736068654	0.273920581442	-0.49648239813	-0.0785646778394	0.303809412954	-0.0487505916838	-0.0413756451242	0.431669624699	-0.0931250842651	0.541949924004	263.29331982	1.7252504553	63.6958861461
8	9.20058167697	0.44914099823	-0.37862953198	0.841871263518	-0.183548159208	3.92437388601	-0.509966610903	-1.011921331	0.248873326505	0.238198776917	0.437839534318	0.354108332143	-0.442933375858	-0.0349258280139	-0.0357151420945	0.35055415899	0.0521630497833	0.00745912783415	0.323474523363	-0.0257967546668	0.526805986111	250.198495377	11.5226508259	61.2099565127
9	0.131616690498	-0.188458663172	-0.196838677671	7.34221612105	5.75284868354	4.43941513615	-0.449768574018	0.385243190793	0.0611352630805	0.279320262455	-0.147059307455	0.507514943594	0.381862532103	0.399442554229	0.328811095022	0.291949752581	0.0381938067506	0.0154493825918	0.508736742824	0.0894084678073	0.681339080971	238.984255176	8.88047528509	52.8093100525
10	9.47783603577	4.3350961853	0.306799962552	5.33008375334	1.49415573895	7.0626553912	-0.186049955035	1.47475273418	0.222818679029	-0.366018397485	-0.0183197297135	0.89512009909	-0.600893946781	-0.720250623058	0.144120558725	0.406997120501	-0.044348698761	-0.0521459040298	0.620911622469	0.113579227464	0.693819974892	244.881735442	8.05121598752	39.8602151545
11	6.26647977122	2.13314311791	4.8097385919	7.29515842502	-1.44658336123	5.88892063078	0.665609242289	0.19321495629	-0.264880536469	-0.0909058897441	0.205441570762	0.530000204613	-0.502524247544	-0.664030546872	-0.504099960947	0.381641601217	0.0347049175065	0.0541228296526	0.563091361917	-0.0918945288859	0.406452376365	274.123858348	-7.92740557393	56.7635065964
12	3.16053785852	-1.70177378829	-0.362380993857	4.15392583015	0.444766664114	2.66952519231	-0.0987017388257	-0.279296173065	-0.103304238836	0.219363460465	0.103150271292	0.348753691698	0.436704281879	-0.323639978544	0.0224673639529	0.345389580735	0.0256211011487	-0.0374758370829	0.301854893005	-0.0431058736362	0.391821269218	274.062184337	-9.3758762778	49.5507682866
13	5.99260641647	0.789337633028	4.85950241284	6.67146884082	0.299284569307	4.18804514117	0.583810554581	-0.198758330752	0.220769302994	0.589762193221	-0.397002572105	-0.529332868977	-0.46213625625	0.524024997827	0.147846045085	0.320565850704	-0.0447378796426	-0.0161278931615	0.484844756559	-0.0680426566541	0.390858409785	281.146163306	-2.09325405191	52.161959405
14	7.61069164008	1.3796693105	-0.607905795305	2.1634063345	1.77311211999	7.8146277417	0.157856362118	0.0321334868664	0.296871973216	-0.168425303758	0.0255314625338	0.920031576667	-0.625639153799	0.105777445744	-0.273134327275	0.340751285458	-0.0269721277138	-0.062836660918	0.389534969201	-0.0924703123891	0.361853769036	269.952297342	10.4823307387	44.1427875435
15	2.78919558361	-1.36037070571	0.637376344051	9.20065392276	-4.80816111812	2.44915045456	-0.368305598454	0.137436099738	0.206202053943	0.0562020801297	-0.0450205771827	-1.24947414178	0.207072434009	0.496668323724	0.23472962711	0.369086020876	0.0504962023049	-0.00920338755459	0.464340943253	-0.0548791130137	0.341651864314	283.635682395	-5.50840161651	68.0536721007
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29	2.28094567918	2.63640465276	-0.723559118895	3.77352912215	-0.613680658523	4.12657033788	-0.0375848298602	0.239106515279	0.0731405437639	-0.450661619737	0.151681793091	0.00778451487086	-0.275413078936	0.268976756914	-0.0928487350303	0.347212871697	-0.0273368502604	0.0677072398148	0.380322970268	-0.0798198317671	0.371782731031	276.074305271	5.05475877815	14.1460674777
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52	0.137841611524	0.145253521786	0.1418303305	0.136145463663	0.185775026652	0.198826360237	0.489354322532	0.0308172030708	-0.363404269464	-0.324696504566	-0.087823942261	0.337931680601	0.618787522696	0.307812925885	-0.00806687563301	1.33808280414	-0.0133474212146	-0.243409831264	0.475939459366	-0.114166380851	1.20675101478	269.978991488	-38.9277916347	5.17148128428
53	4.36545275726	0.115299787916	2.79642920963	3.63338526516	0.380456790049	5.88693819568	-0.761247714499	1.02218292357	-0.548452448273	-0.339038977617	0.415803236409	-0.313613258109	-0.315281509888	0.157705587733	-0.0138811153134	1.32215440567	-0.0197024092984	-0.193198714855	0.652923577305	-0.302587826655	0.856412447643	269.974316411	-35.9844661229	-10.5208423297
54	3.66166178124	-1.02646511529	-0.824258485083	4.54320815486	2.74187147688	5.57017936657	-0.0323136749129	-0.445230502595	0.224830777758	0.630255258886	0.254468140156	-0.301902360956	0.338993640312	-0.377369187507	-0.128327330844	0.463661551298	0.0443877889525	-0.0031934612427	0.491853784889	-0.0266891277826	0.278062767986	290.864415572	-8.20251479799	83.4984678727
55	2.85726215165	-0.157642360582	1.436742086	1.4834679584	0.427807230469	3.69824715481	0.401909469412	0.548689114217	-0.506435195229	-0.206452979446	0.303358411112	-0.0932373004602	0.865206423632	0.217774222038	-0.696365065931	0.73496876926	0.140280104553	-0.139162886695	0.499199641401	-0.151881409686	0.491596927276	283.40575179	-22.0817608339	46.7177641398
56	4.05819388948	-0.786951243292	1.52426909046	3.39860831997	0.155452956763	5.23341632028	0.36471578348	0.914827495328	-0.721346314382	-0.70234683393	0.0569101349289	0.443537723677	0.72555471589	1.35925811036	-0.169347131217	0.769380364271	0.0590997653753	-0.216826947774	0.616450238225	-0.112409085014	0.450576223821	279.788637714	-21.7331356425	38.7938481627
57	1.22974732881	-0.135596814336	0.762025285607	2.97849932391	1.15861433474	4.02563752675	0.477548410699	-0.127618125342	-0.126571542696	0.27945460864	0.139865200728	-0.335280820182	0.433967873613	0.512490465936	-0.550371248304	0.419443786319	0.0998847052225	-0.0989975166119	0.621348765805	-0.122015791978	0.440208288996	291.392371696	-13.9410549643	74.8662544402
58	2.25747054414	1.16374855153	-2.36276294321	2.71721874786	1.55128198151	6.23893702808	0.597792921932	-0.102303452188	-0.412407418869	-0.0919841162139	1.21610352011	1.36094246381	-0.598343720341	-0.575493941912	0.754231026653	0.800847951384	0.272540213155	-0.0353687801863	0.999969396333	-0.349206302624	0.254807103674	286.866789475	0.0152069945967	-25.0129642389
59	6.69748645268	2.04398805207	0.678952316709	2.13316516987	3.02470902959	5.66139024806	0.423961911292	0.0549167281328	0.132136682346	0.674588520423	0.358904326087	-1.11417068613	-0.523559257095	0.123867155458	-0.615786663242	0.712868206643	0.0256720823706	-0.0125677272809	0.645472288304	-0.0903861477362	0.392733325659	295.412445772	7.29154749631	-11.6890881722
60	2.8447470573	-0.489510374416	-1.76354587913	2.02522270985	0.677489413323	2.89295124616	0.389498936228	-0.55575963537	0.493960339942	0.0302790063871	0.52154085157	-0.159803312252	-0.934290463384	0.922377665278	-0.818175247118	0.849653701903	-0.229427133126	0.195088838789	0.552093039434	-0.179088068879	0.519542052807	285.324850782	17.7678658644	18.746708666
61	5.90086665611	1.48027154617	-2.74698777586	3.42749422766	-0.792105322273	4.84414655342	0.145169681611	-0.692396834936	0.29177219175	0.044457206514	0.167374229401	0.0406947173869	-0.4849218314	0.877657427991	-0.349491771616	0.818656041823	-0.126976821376	0.230371917111	0.546286777782	-0.0846947195001	0.453346172814	281.687080187	17.8550524126	26.4136312379
62	1.89975652825	-0.257833405223	2.73246847209	4.07189031944	2.41667605669	5.85168448875	1.69904623789	0.511550209949	-0.476045639499	-0.919552316656	-0.558985672789	-1.92672239551	-0.900481292042	1.72739845444	-0.194415254706	0.878602467266	-0.450480745028	0.419689730297	1.00798882964	-0.222180037029	0.487909558516	294.736821547	13.5241877172	6.16563546967
63	2.27453519747	-0.0178127850957	-0.126493048924	2.80305068454	-0.721001957098	5.69508095105	1.1228639175	-0.41841852692	0.259509484526	-0.171803321331	0.0409359395215	0.330916429207	-0.512442469062	0.673166107449	-0.92843736129	0.752460442152	-0.0409886796804	0.111116004776	0.720803691332	-0.0471391160467	0.374066356852	287.13482756	13.505070192	-11.3520339857
64	9.00456889261	-0.530786956027	1.8627538468	8.48505826848	4.20913395729	9.76204161297	1.23381824779	0.313339698154	-0.631254653755	-1.53035117612	-0.547111791744	-1.51536948347	0.372227880222	0.418806125934	-0.933148273211	0.760774505251	0.245595069106	0.0232864689935	0.906706063761	-0.167397704931	0.459531651208	295.110588488	-0.302801329072	-23.6977189107

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'F' and (resid 1 through 9 )
2	X-RAY DIFFRACTION	2	chain 'F' and (resid 10 through 51 )
3	X-RAY DIFFRACTION	3	chain 'F' and (resid 52 through 88 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 1 through 12 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 13 through 33 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 34 through 42 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 43 through 57 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 58 through 69 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 70 through 76 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 77 through 85 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 1 through 5 )
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 6 through 33 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 34 through 42 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 43 through 56 )
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 1 through 12 )
16	X-RAY DIFFRACTION	16	chain 'A' and (resid 13 through 22 )
17	X-RAY DIFFRACTION	17	chain 'A' and (resid 23 through 42 )
18	X-RAY DIFFRACTION	18	chain 'A' and (resid 43 through 58 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 0 through 37 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 38 through 88 )
21	X-RAY DIFFRACTION	21	chain 'M' and (resid 1 through 22 )
22	X-RAY DIFFRACTION	22	chain 'M' and (resid 23 through 51 )
23	X-RAY DIFFRACTION	23	chain 'M' and (resid 52 through 88 )
24	X-RAY DIFFRACTION	24	chain 'L' and (resid 1 through 12 )
25	X-RAY DIFFRACTION	25	chain 'L' and (resid 13 through 42 )
26	X-RAY DIFFRACTION	26	chain 'L' and (resid 43 through 57 )
27	X-RAY DIFFRACTION	27	chain 'L' and (resid 58 through 69 )
28	X-RAY DIFFRACTION	28	chain 'L' and (resid 70 through 85 )
29	X-RAY DIFFRACTION	29	chain 'I' and (resid 1 through 37 )
30	X-RAY DIFFRACTION	30	chain 'I' and (resid 38 through 56 )
31	X-RAY DIFFRACTION	31	chain 'K' and (resid 1 through 23 )
32	X-RAY DIFFRACTION	32	chain 'K' and (resid 24 through 29 )
33	X-RAY DIFFRACTION	33	chain 'K' and (resid 30 through 42 )
34	X-RAY DIFFRACTION	34	chain 'K' and (resid 43 through 58 )
35	X-RAY DIFFRACTION	35	chain 'N' and (resid 1 through 37 )
36	X-RAY DIFFRACTION	36	chain 'N' and (resid 38 through 51 )
37	X-RAY DIFFRACTION	37	chain 'N' and (resid 52 through 56 )
38	X-RAY DIFFRACTION	38	chain 'N' and (resid 57 through 82 )
39	X-RAY DIFFRACTION	39	chain 'N' and (resid 83 through 88 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 1 through 12 )
41	X-RAY DIFFRACTION	41	chain 'D' and (resid 13 through 29 )
42	X-RAY DIFFRACTION	42	chain 'D' and (resid 30 through 42 )
43	X-RAY DIFFRACTION	43	chain 'D' and (resid 43 through 57 )
44	X-RAY DIFFRACTION	44	chain 'D' and (resid 58 through 76 )
45	X-RAY DIFFRACTION	45	chain 'D' and (resid 77 through 84 )
46	X-RAY DIFFRACTION	46	chain 'J' and (resid 1 through 5 )
47	X-RAY DIFFRACTION	47	chain 'J' and (resid 6 through 22 )
48	X-RAY DIFFRACTION	48	chain 'J' and (resid 23 through 33 )
49	X-RAY DIFFRACTION	49	chain 'J' and (resid 34 through 42 )
50	X-RAY DIFFRACTION	50	chain 'J' and (resid 43 through 57 )
51	X-RAY DIFFRACTION	51	chain 'J' and (resid 58 through 68 )
52	X-RAY DIFFRACTION	52	chain 'J' and (resid 69 through 76 )
53	X-RAY DIFFRACTION	53	chain 'J' and (resid 77 through 85 )
54	X-RAY DIFFRACTION	54	chain 'G' and (resid 1 through 10 )
55	X-RAY DIFFRACTION	55	chain 'G' and (resid 11 through 26 )
56	X-RAY DIFFRACTION	56	chain 'H' and (resid 1 through 10 )
57	X-RAY DIFFRACTION	57	chain 'H' and (resid 11 through 25 )
58	X-RAY DIFFRACTION	58	chain 'P' and (resid 1 through 5 )
59	X-RAY DIFFRACTION	59	chain 'P' and (resid 6 through 10 )
60	X-RAY DIFFRACTION	60	chain 'P' and (resid 11 through 26 )
61	X-RAY DIFFRACTION	61	chain 'O' and (resid 1 through 10 )
62	X-RAY DIFFRACTION	62	chain 'O' and (resid 11 through 15 )
63	X-RAY DIFFRACTION	63	chain 'O' and (resid 16 through 20 )
64	X-RAY DIFFRACTION	64	chain 'O' and (resid 21 through 26 )

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