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- PDB-9g7k: Staphylococcus aureus MazF in complex with Nanobody 12 -

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Open data

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Basic information

Entry

Database: PDB / ID: 9g7k

Title

Staphylococcus aureus MazF in complex with Nanobody 12

Components

Endoribonuclease MazF
Nanobody 12

Keywords

TOXIN / Toxin-antitoxin system / Ribonuclease / Nanobody

Function / homology

mRNA interferase PemK-like / PemK-like, MazF-like toxin of type II toxin-antitoxin system / Plasmid maintenance toxin/Cell growth inhibitor / endonuclease activity / Hydrolases; Acting on ester bonds / DNA binding / RNA binding / Endoribonuclease MazF

Function and homology information

Biological species

Staphylococcus aureus (bacteria)

Lama glama (llama)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.08687404886 Å

Authors

Zorzini, V. / Haesaerts, S. / Loris, R.

Funding support

Belgium, 1items

Citation

Journal: To Be Published
Title: Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
Authors: Prolic-Kalinsek, M. / Zorzini, V. / Haesaerts, S. / De Bruyn, P. / Loris, R.

History

Deposition	Jul 21, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 31, 2024	Provider: repository / Type: Initial release
Revision 1.1	Oct 23, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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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	9g7k.cif.gz	492.3 KB	Display	PDBx/mmCIF format
PDB format	pdb9g7k.ent.gz	335.5 KB	Display	PDB format
PDBx/mmJSON format	9g7k.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9g7k_validation.pdf.gz	493.8 KB	Display	wwPDB validaton report
Full document	9g7k_full_validation.pdf.gz	502.4 KB	Display
Data in XML	9g7k_validation.xml.gz	42 KB	Display
Data in CIF	9g7k_validation.cif.gz	59.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g7/9g7k ftp://data.pdbj.org/pub/pdb/validation_reports/g7/9g7k	HTTPS FTP

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Related structure data

Related structure data	9g1yC 9g2gC 9g48C 9g4gC 9g5lC 9g2a 9g5z C: citing same article (ref.)
Similar structure data	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	#136 - Apr 2011 Nanobodies similarity (1) #21 - Sep 2001 Antibodies similarity (1) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1)

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Assembly

Deposited unit

A: Endoribonuclease MazF

B: Endoribonuclease MazF

C: Nanobody 12

D: Nanobody 12

E: Endoribonuclease MazF

F: Endoribonuclease MazF

G: Nanobody 12

H: Nanobody 12

hetero molecules

122 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Endoribonuclease MazF

B: Endoribonuclease MazF

C: Nanobody 12

D: Nanobody 12

hetero molecules

defined by author
Evidence: gel filtration
60.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

E: Endoribonuclease MazF

F: Endoribonuclease MazF

G: Nanobody 12

H: Nanobody 12

hetero molecules

defined by author
Evidence: gel filtration
61.4 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	52.190, 61.270, 97.310
Angle α, β, γ (deg.)	89.850, 83.890, 67.190
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

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Components

#1: Protein	Endoribonuclease MazF / SaMazF / Toxin MazF / mRNA interferase MazF Mass: 14952.206 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Gene: mazF, SA1873 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: Q7A4G9, Hydrolases; Acting on ester bonds
#2: Antibody	Nanobody 12 Mass: 15051.495 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli BL21(DE3) (bacteria)
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 20 / Source method: isolated from a natural source / Formula: SO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 538 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	Y

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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: 2.59 Å³/Da / Density % sol: 52.44 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion / pH: 4.6 Details: 0.2 M ammonium sulphate, 0.1 M Na-cacodylate pH 4.6, 30% (w/v) PEG-4000

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.978 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 18, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.978 Å / Relative weight: 1
Reflection	Resolution: 2.08687404886→47.8627402241 Å / Num. obs: 61618 / % possible obs: 93.8 % / Redundancy: 1.96 % / B_iso Wilson estimate: 33.55607078 Å² / CC_1/2: 0.997 / R_merge(I) obs: 0.054 / Net I/σ(I): 9.1
Reflection shell	Resolution: 2.08687404886→2.21 Å / Redundancy: 1.91 % / R_merge(I) obs: 0.355 / Num. unique obs: 9022 / CC_1/2: 0.859 / % possible all: 85

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.08687404886→47.8627402241 Å / SU ML: 0.276953173526 / Cross valid method: FREE R-VALUE / σ(F): 1.96221656014 / Phase error: 29.0561837828
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.233530947746	3079	5.0008933067 %
R_work	0.189174361156	58490	-
obs	0.191407936985	61569	93.7737027278 %

Solvent computation

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

Displacement parameters

B_iso mean: 46.8787555474 Å²

Refinement step

Cycle: LAST / Resolution: 2.08687404886→47.8627402241 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7450	0	111	538	8099

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00237301679316	7707
X-RAY DIFFRACTION	f_angle_d	0.527660806552	10485
X-RAY DIFFRACTION	f_chiral_restr	0.0449129999411	1160
X-RAY DIFFRACTION	f_plane_restr	0.00390518203339	1338
X-RAY DIFFRACTION	f_dihedral_angle_d	10.7047902507	4564

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 (%)
2.0869-2.1195	0.33088871892	88	0.303550172926	1662	X-RAY DIFFRACTION	58.2750582751
2.1195-2.1542	0.328216835216	141	0.288151862304	2690	X-RAY DIFFRACTION	95.4162453657
2.1542-2.1914	0.327853279536	144	0.277466117286	2721	X-RAY DIFFRACTION	95.0879522071
2.1914-2.2312	0.327093813922	139	0.269642816221	2648	X-RAY DIFFRACTION	95.6089193825
2.2312-2.2741	0.325417295894	143	0.264478207216	2734	X-RAY DIFFRACTION	93.9581972567
2.2741-2.3206	0.297458645052	139	0.246494863442	2647	X-RAY DIFFRACTION	95.4109589041
2.3206-2.371	0.314039666782	146	0.240728135351	2769	X-RAY DIFFRACTION	95.9197104311
2.371-2.4262	0.266273817186	141	0.242983170158	2683	X-RAY DIFFRACTION	96.0544217687
2.4262-2.4868	0.306358610097	143	0.227463599821	2723	X-RAY DIFFRACTION	95.8528428094
2.4868-2.5541	0.238235972124	145	0.221274346814	2743	X-RAY DIFFRACTION	96.0745176314
2.5541-2.6292	0.285212645011	142	0.223886873303	2707	X-RAY DIFFRACTION	95.1569806279
2.6292-2.7141	0.300757696587	139	0.212583752333	2628	X-RAY DIFFRACTION	94.2117807286
2.7141-2.8111	0.266320545098	143	0.210707871274	2717	X-RAY DIFFRACTION	95.7161981258
2.8111-2.9236	0.256761509656	142	0.21786352238	2704	X-RAY DIFFRACTION	94.6143617021
2.9236-3.0566	0.251524760264	144	0.210239213585	2734	X-RAY DIFFRACTION	95.8055925433
3.0566-3.2178	0.268572124316	141	0.194846422189	2675	X-RAY DIFFRACTION	95.489996609
3.2178-3.4193	0.217370611292	143	0.17327870338	2713	X-RAY DIFFRACTION	95.9355055425
3.4193-3.6832	0.201051282316	140	0.153910494253	2667	X-RAY DIFFRACTION	93.9110070258
3.6832-4.0537	0.181181371559	142	0.138199455421	2701	X-RAY DIFFRACTION	95.0200534759
4.0537-4.6399	0.1812697726	144	0.128099622959	2731	X-RAY DIFFRACTION	96.218206158
4.6399-5.8441	0.184030740209	145	0.157740119321	2752	X-RAY DIFFRACTION	96.5666666667
5.8441-47.8627402241	0.211423622377	145	0.200023869752	2741	X-RAY DIFFRACTION	97.1063257066

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	4.24783170525	0.354272514797	0.309012568037	2.92494430758	-1.65738724643	4.44944005613	0.0213348731412	0.876692923867	0.234455837946	-1.03012942734	-0.0972501646712	-0.194638050734	0.185065961918	0.130491994577	0.0943376435008	0.600573784602	-0.0252578525644	0.0612430677476	0.404628315732	0.0277129846828	0.378970061219	18.7165078134	-16.5876223042	-34.2678926898
2	9.53343488013	-2.09865128382	-4.29212619822	6.41116715498	1.71507462847	5.49438597705	-0.200316663039	-0.0479919052556	0.526623322347	0.194557042022	0.32894476254	-0.893012681081	-0.23469771458	0.517791267547	0.0379589937197	0.490379106509	-0.0997589175003	-0.082839572103	0.373989229652	0.0403570263318	0.377252124493	21.637441937	-5.23921889532	-17.0238561846
3	3.31211039279	-0.728236145792	-0.446360173668	4.31963505575	-1.29110997433	2.61810919203	-0.0363979296841	0.243068406916	-0.109729286003	-0.69060599981	0.0247128898434	0.00488537044307	0.177805618351	-0.227620533391	-0.0190116764239	0.443710303056	-0.0597957150612	0.00870850035837	0.225630812318	-0.0110098964838	0.240580901724	14.0796277786	-14.1359349048	-28.364726664
4	8.68315454429	-0.489152755244	0.871181615618	0.176292302718	-0.605013313419	2.08783143018	-0.610919347379	-0.361031179656	0.038465307952	0.357726362963	0.198688064651	-0.0482653236759	-0.270918527111	0.39482189962	0.404358840745	0.615419224538	-0.0117254576398	-0.0361656019576	0.382713842533	0.0553097566169	0.382418224908	19.5131767749	-20.8309539514	-10.028699212
5	7.54727789798	-0.146335492729	-3.56275859408	0.148635029767	-0.337688861393	4.29331036237	-0.316221918151	-0.734678627947	-0.673692274994	-0.168391949164	0.0830017072891	-0.207536706501	0.405667365167	0.622487661424	0.312132692378	0.496770774982	-0.0158680559212	0.0788900610634	0.241832940528	-0.0169920130626	0.399707103125	22.0033738615	-26.7726505437	-19.2113388254
6	2.84553688371	-0.38000640712	-1.55371842617	7.1359870123	-4.31568756581	3.75001032337	-0.885693485208	-0.336411537747	-0.198543198996	0.693506181503	-0.372343652089	-1.7362263337	0.0268409291349	1.51959299889	1.09269448058	0.594827133314	0.0263714918333	-0.068221190436	0.69732890416	0.0300427139372	0.622188295753	28.816559133	-23.9188714224	-19.8217079661
7	1.24442203625	-0.405746164604	0.505128494597	1.3332593438	-0.218574906242	2.65616784119	-0.0583881791231	-0.0797365196093	0.135649322182	-0.0705960420945	-0.103983334691	-0.129536935647	-0.143468658076	-0.0662574751128	0.122210851518	0.423174563638	-0.0485484808288	-0.0194645790527	0.223551314683	-0.019847294236	0.284835008	16.6447657562	-11.4508164746	-22.3868828771
8	7.01924915127	1.31801795824	-2.27139955925	6.34856544734	-3.47560921116	7.62495509986	-0.272222512017	-0.11160053781	-0.392715860886	-1.02408500589	-0.280059004006	-0.550369794488	0.644115668728	0.783214357514	0.404604324326	0.546299790503	-0.0241432839374	-0.00885342478109	0.381852937167	-0.0626781831889	0.287786025393	21.6887440755	-20.6152770556	-30.2367165559
9	7.36909260203	-3.87354232988	-3.60883055466	6.64680181008	3.91639913293	8.39323075166	0.164638263024	0.315149766622	-0.749445385649	-0.460141723601	-0.236046141141	-0.156179870115	0.452570645213	-0.345295057602	0.0860609105127	0.564166915419	-0.132779797437	-0.0267471456116	0.312715279401	0.00117689075709	0.346842510433	9.11798840211	-24.8120164462	-19.5062971097
10	6.42664127585	-5.33447203732	1.7056759648	6.22680220301	1.13950292122	4.07404157565	-0.0759652073352	-0.474503537574	-0.587550539851	0.571880339153	0.0241436447263	1.12568430892	0.893571479853	-1.23094986605	0.16847779406	0.590884510569	-0.191555279128	-0.0391314234965	0.453273695817	0.0110781531658	0.342925183757	-0.000695826788493	-18.5834126817	-14.660943459
11	3.29920531078	0.626318385882	1.75149759002	3.03278189841	2.04134886616	3.64333174017	0.520283763663	-1.14276299068	0.604841739456	0.711097654965	-0.627203118026	-0.031340352952	-0.152738825469	-0.22565275945	0.107949217515	0.556025480511	-0.0280887192255	0.0103227702343	0.479444057007	-0.124815301888	0.41140718887	4.21675350081	-1.29645981572	-7.83941294395
12	3.66027610871	2.2599619461	0.440902860817	8.73194528384	5.19711853058	8.18462670627	-0.0552900469031	-0.137314803588	0.235269997336	-0.0473762446738	0.283947728167	-0.387689496516	-1.43219106842	0.570028312798	-0.148193417102	0.636389865441	-0.14312813758	-0.06066717406	0.332340417531	0.0134738346198	0.339644765647	14.4751648996	1.2756046207	-25.2757995879
13	5.91192612023	1.32141312542	-0.271777478544	4.67830656452	2.86102761487	1.95119501063	0.0464627381583	-0.434272547092	-0.227767349064	0.645735803392	-0.135763718484	0.103249594336	-0.0662895747107	-0.271676368009	0.106688755599	0.405670936921	-0.0580253223009	-0.0370578012942	0.294692498474	-0.0273198156248	0.200683032241	6.92144581564	-6.53695128876	-11.6864320246
14	0.00282186536878	-0.0364560250658	0.00419921764	4.08828750172	-0.51596318249	0.064610007752	-0.370247948488	0.276017136565	0.74851338418	-2.1935924572	-0.488187974447	1.15456556224	-1.0695168107	-0.562009531305	0.741002202525	0.911441432371	0.0624095560313	-0.280703728536	0.423238415954	-0.0261210292156	0.505951031327	-1.44580500711	-1.24676850616	-29.7596759247
15	3.69836150287	1.45937574709	-1.11404148989	2.25454160818	1.98735310508	6.64180672775	-0.150367321102	0.357727976407	1.2659464772	-0.555554517841	0.161021729712	1.05974054602	-0.979567824763	-1.24891010162	-0.152155705807	0.697376853351	0.20183690727	-0.050809958627	0.482914426902	-0.0313297053052	0.712644554775	-5.96559379848	3.09027594752	-21.625023755
16	2.01648362716	-0.985020698317	0.852688416999	4.85923017092	-0.111674533557	6.10965458466	-0.044475208043	0.903037728234	0.507238438641	-0.412593207923	-0.223011575336	0.112458787705	-1.1635215446	0.097607751935	0.202379969325	0.453382168708	0.00619210761599	-0.0336305789571	0.296269420932	0.00391159396111	0.28845555694	2.25148211978	-3.6423498707	-25.4319607004
17	6.56182581175	0.889222975314	-0.961515292175	8.83991599267	-0.610981963959	2.68620923674	0.203532776992	-0.0350182060231	0.185146088826	-0.0429273896813	-0.0963511455464	-0.314531080305	-0.505133631915	-0.148915738084	-0.141320370166	0.447231554072	-0.0172135252516	-0.0885937174269	0.277068349607	-0.00704103733207	0.261369893829	13.3438623823	-3.18363766824	-14.088980885
18	3.82075339646	3.74941932831	4.46617336547	5.45766377116	4.09751213881	5.28766507385	0.525502787067	-0.517233998814	0.960440577486	0.595354686253	-0.666885167869	0.396906141871	-0.238247708336	-0.722526664765	0.201474551453	0.722867008929	0.0293611213406	-0.0838249479067	0.386441843677	-0.0883872655965	0.33974881816	-0.430687609519	1.52921900581	-10.7222231995
19	3.10932711886	-4.10150443399	-3.19791871297	9.4894071259	5.0686079029	3.60177053194	-0.199742129979	-0.684384962861	0.132548877076	0.650886994292	0.0666137663643	0.478591867438	0.914319850228	-0.653650416817	0.191125776212	0.443271462467	-0.104024814123	-0.0597150087194	0.480562182953	-0.01461124044	0.306238019833	-4.45142258912	-11.4984384003	-20.7332953077
20	9.47243522308	-5.67816526291	-4.4374336565	5.46695288413	0.187022423725	5.03475734004	0.0802937987239	0.396186162404	-0.836089180126	-1.64284555264	0.556254128976	2.43899884616	1.77801062165	-1.1803973528	-0.265392259481	0.736670239333	-0.164771542891	-0.220326515027	0.483132443903	0.14523956605	0.709929151366	0.931728320257	-22.2794856977	-26.3475560348
21	4.81395782971	1.19131931936	-2.01999774382	5.78960044172	-1.62422015552	8.37139938643	0.16705254703	-0.0802258199133	-0.464586744369	0.718658623987	-0.352595968572	-0.910005246801	-0.984993318986	0.159346659012	0.237085920779	0.532849069506	-0.0433429553936	-0.0884495514996	0.329276270847	-0.0183408698624	0.390611093331	31.1014949698	3.92843069562	3.42294082746
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58	2.09589337723	0.159737440407	-0.503402598609	4.66358601424	1.36949550445	2.41051027843	-0.106534910487	0.131895768921	0.148793483916	-0.471767563919	-0.0368312746265	0.340971269696	-0.433235771062	-0.195734281765	0.119748473871	0.417849157875	-0.0282455018935	-0.0881029504636	0.27095516345	-0.0145717995003	0.232973001751	-3.27365457541	-27.329901907	0.915332221282
59	1.73112672357	0.0219574471807	-1.58823484019	5.00865967598	1.49991626145	6.14950069127	-0.0717661603997	-0.038629473987	-0.102535392586	-0.29614887385	-0.0721053020133	0.118675765623	0.264277370444	-0.0487032992728	0.119591992726	0.47255479259	-0.0313003327347	-0.11085649611	0.213050451743	0.017013690179	0.245881063037	0.678855475466	-33.6352101436	-1.491274086
60	3.53146525406	-0.499540346212	-0.518675443618	4.16439183297	2.16594715701	3.20475665684	0.346684119706	-0.269514427386	0.00746315297221	-0.0961758346512	-0.0234331617168	-0.226196965579	0.145496697268	0.100849942989	-0.315613750335	0.652162535352	-0.03510572991	-0.120964324239	0.342821960405	-0.0479873638931	0.314549367562	1.56008223625	-25.8837023578	11.4998193585
61	3.92367155514	-2.41150369916	-2.9920169777	7.42097156725	3.70736619086	6.82775839191	0.0988491551456	-0.654266453071	-0.037261809427	1.89147696228	0.0192326034041	-0.442894321271	1.60369629071	-0.789903828299	-0.0213071818997	0.69738876477	-0.0702878577337	-0.115526043528	0.432063097165	-0.107073978659	0.384659425019	-5.72814372466	-35.9156778139	10.519847754
62	3.18858769475	3.88410337561	-1.63805354207	7.77742583447	-3.08791795711	2.77204746149	-0.78389915663	0.582480785559	-1.19163800221	-1.08120089938	0.0950838170758	-0.774429765703	0.801974292757	-0.351401759314	0.578548934949	0.826349888865	-0.0731619543262	-0.0962984088532	0.358109430586	-0.0682260159893	0.401419665063	2.53088837414	-40.6719886899	-10.0793248999
63	1.96167722175	-0.704652351221	-0.987403542789	6.20011206448	5.3136899924	8.74684598214	0.068990984348	-0.236485187767	-0.044001772045	0.238035305859	-0.148900505425	0.223304584249	0.556570239361	-0.0581190906558	0.021271123061	0.296918474639	-0.0245940733962	-0.0200364547415	0.232046902283	0.0169807789987	0.263054778051	-5.64166855741	-33.3584608206	60.9859524658
64	5.13127580751	-0.730058161412	-1.83212270687	2.23989142446	-0.826378221776	4.99681271103	-0.271397495264	-0.131077191314	0.254580637578	0.258150997539	0.208044251505	-0.126173109783	-0.43662899964	-0.00110174054066	0.0743919597077	0.435581174246	0.0192254378659	-0.0620607216752	0.21880754983	-0.0490993873376	0.195933117043	0.57291119992	-27.8016814826	53.1832625247
65	3.57460288158	0.0763202602906	-0.155790820838	6.41834917712	1.80378583327	5.07426500535	0.149526843698	-0.353103442272	0.114321337599	0.639236758083	-0.261893144504	0.0448822406937	-0.190603898402	0.182585750251	0.107327420522	0.321928135565	-0.05661923455	-0.0425313962926	0.250575050577	-0.0179472224604	0.195633996683	3.30773207818	-30.0692433024	60.4516014536
66	4.24090005709	-0.757744058795	-1.16421504929	0.327062125498	-0.627453128605	4.24464189222	0.208693880944	-0.183588172053	0.0995414435334	-0.311747650343	-0.0711739005472	0.0169635637832	-0.479126895379	-0.457990442222	-0.176006511903	0.469796192354	-0.0266260411624	-0.0601152302446	0.217417491248	-0.024503008916	0.325682349092	-4.02377258474	-24.3166843706	59.0536816515
67	7.5413617899	0.0636787200362	-0.68316008345	4.12421903126	-0.173141756638	4.30296564149	0.313474930368	0.451344412107	0.804111381903	-0.807616496098	-0.337311169231	-0.0282276959842	-0.275111437507	0.0985792882953	0.0566774173172	0.477099902033	-0.0160055583506	-0.0252686475368	0.360332151592	0.0216270090052	0.275038187086	2.84295196748	-24.5793147061	45.509216984
68	5.22172663061	4.21260244111	-3.19993510654	6.19869855731	-4.1021966137	5.70546875373	0.129766438305	0.57873509674	0.563104377717	-0.37913318286	0.262887245617	0.731176021432	-0.486232218247	-0.687831861239	-0.34643558327	0.476798048578	0.0477119597383	-0.0889856484925	0.345564120876	0.0498747728622	0.350803518187	-7.72909885907	-31.1740360586	47.6184373365
69	5.76012556324	0.407519090497	0.579248947706	3.58930953092	-2.29414886871	1.9370933917	0.181712666807	-0.652862266151	0.608126521234	0.641325485033	-0.215107192594	0.0919383403712	-0.214677249576	-0.259505559954	-0.0668751656104	0.392899077653	-0.0579024863	0.139564566392	0.505921859473	-0.0653993709529	0.300473082293	-10.1050382529	-22.0133844052	67.6990280139

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid -3 through 11 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 12 through 22 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 23 through 47 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 48 through 57 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 58 through 66 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 67 through 71 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 72 through 86 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 87 through 95 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 96 through 109 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 110 through 115 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid -3 through 11 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 12 through 22 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 23 through 45 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 46 through 57 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 58 through 71 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 72 through 78 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 79 through 86 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 87 through 95 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 96 through 109 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 110 through 116 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 1 through 7 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 8 through 17 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 18 through 28 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 29 through 51 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 52 through 60 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 61 through 73 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 74 through 91 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 92 through 113 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 114 through 123 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 124 through 130 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 1 through 7 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 8 through 17 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 18 through 28 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 29 through 39 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 40 through 51 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 52 through 60 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 61 through 83 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 84 through 100 )
39	X-RAY DIFFRACTION	39	chain 'D' and (resid 101 through 113 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 114 through 123 )
41	X-RAY DIFFRACTION	41	chain 'D' and (resid 124 through 131 )
42	X-RAY DIFFRACTION	42	chain 'E' and (resid -3 through 5 )
43	X-RAY DIFFRACTION	43	chain 'E' and (resid 6 through 11 )
44	X-RAY DIFFRACTION	44	chain 'E' and (resid 12 through 22 )
45	X-RAY DIFFRACTION	45	chain 'E' and (resid 23 through 45 )
46	X-RAY DIFFRACTION	46	chain 'E' and (resid 46 through 71 )
47	X-RAY DIFFRACTION	47	chain 'E' and (resid 72 through 113 )
48	X-RAY DIFFRACTION	48	chain 'F' and (resid -1 through 5 )
49	X-RAY DIFFRACTION	49	chain 'F' and (resid 6 through 11 )
50	X-RAY DIFFRACTION	50	chain 'F' and (resid 12 through 22 )
51	X-RAY DIFFRACTION	51	chain 'F' and (resid 23 through 47 )
52	X-RAY DIFFRACTION	52	chain 'F' and (resid 48 through 57 )
53	X-RAY DIFFRACTION	53	chain 'F' and (resid 58 through 71 )
54	X-RAY DIFFRACTION	54	chain 'F' and (resid 72 through 95 )
55	X-RAY DIFFRACTION	55	chain 'F' and (resid 96 through 113 )
56	X-RAY DIFFRACTION	56	chain 'G' and (resid 1 through 17 )
57	X-RAY DIFFRACTION	57	chain 'G' and (resid 18 through 28 )
58	X-RAY DIFFRACTION	58	chain 'G' and (resid 29 through 83 )
59	X-RAY DIFFRACTION	59	chain 'G' and (resid 84 through 100 )
60	X-RAY DIFFRACTION	60	chain 'G' and (resid 101 through 113 )
61	X-RAY DIFFRACTION	61	chain 'G' and (resid 114 through 123 )
62	X-RAY DIFFRACTION	62	chain 'G' and (resid 124 through 131 )
63	X-RAY DIFFRACTION	63	chain 'H' and (resid 1 through 28 )
64	X-RAY DIFFRACTION	64	chain 'H' and (resid 29 through 60 )
65	X-RAY DIFFRACTION	65	chain 'H' and (resid 61 through 83 )
66	X-RAY DIFFRACTION	66	chain 'H' and (resid 84 through 100 )
67	X-RAY DIFFRACTION	67	chain 'H' and (resid 101 through 113 )
68	X-RAY DIFFRACTION	68	chain 'H' and (resid 114 through 123 )
69	X-RAY DIFFRACTION	69	chain 'H' and (resid 124 through 130 )

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