PDB-9g2a: Staphylococcus aureus MazF in complex with nanobody 4

ID or keywords:

Entry

Database: PDB / ID: 9g2a

Title

Staphylococcus aureus MazF in complex with nanobody 4

Components

Endoribonuclease MazF
Nanobody 4

Keywords

TOXIN / Toxin-antotoxin system / Ribonuclease / nanobody

Function / homology

Function and homology information

rRNA catabolic process / mRNA catabolic process / RNA endonuclease activity / Hydrolases; Acting on ester bonds / DNA binding / RNA binding
Similarity search - Function

Biological species

Staphylococcus aureus subsp. aureus N315 (bacteria)

Lama glama (llama)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.04659385326 Å

Authors

Prolic-Kalinsek, M. / Zorzini, V. / Haesaerts, S. / Loris, R.

Funding support

Belgium, 1items

Citation

Journal: To Be Published
Title: Staphylococcus aureus MazF in complex with nanobody 4.
Authors: Prolic-Kalinsek, M. / Zorzini, V. / Haesaerts, S. / De Bruyn, P. / Loris, R.

History

Deposition	Jul 10, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jul 17, 2024	Provider: repository / Type: Initial release
Revision 1.1	Jul 24, 2024	Group: Database references / Category: citation / Item: _citation.title
Revision 1.2	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	9g2a.cif.gz	235.2 KB	Display	PDBx/mmCIF format
PDB format	pdb9g2a.ent.gz	155 KB	Display	PDB format
PDBx/mmJSON format	9g2a.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	9g2a_validation.pdf.gz	478.4 KB	Display	wwPDB validaton report
Full document	9g2a_full_validation.pdf.gz	489.5 KB	Display
Data in XML	9g2a_validation.xml.gz	21.6 KB	Display
Data in CIF	9g2a_validation.cif.gz	29.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g2/9g2a ftp://data.pdbj.org/pub/pdb/validation_reports/g2/9g2a	HTTPS FTP

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Related structure data

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)

Deposited unit

A: Endoribonuclease MazF

B: Endoribonuclease MazF

C: Nanobody 4

D: Nanobody 4

hetero molecules

59.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	37.970, 51.650, 70.340
Angle α, β, γ (deg.)	81.260, 81.610, 71.650
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
1	2
2	2

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	GLN	GLN	ILE	ILE	(chain 'C' and (resid 5 through 54 or resid 59 through 68 or resid 70 through 128))	C	C	5 - 53	4 - 52
1	2	1	SER	SER	LYS	LYS	(chain 'C' and (resid 5 through 54 or resid 59 through 68 or resid 70 through 128))	C	C	59 - 67	58 - 66
1	3	1	PHE	PHE	VAL	VAL	(chain 'C' and (resid 5 through 54 or resid 59 through 68 or resid 70 through 128))	C	C	70 - 127	69 - 126
2	1	1	GLN	GLN	ILE	ILE	(chain 'D' and (resid 5 through 54 or resid 59...	D	D	5 - 53	4 - 52
2	2	1	SER	SER	LYS	LYS	(chain 'D' and (resid 5 through 54 or resid 59...	D	D	59 - 67	58 - 66
2	3	1	PHE	PHE	VAL	VAL	(chain 'D' and (resid 5 through 54 or resid 59...	D	D	70 - 127	69 - 126
1	4	2	PRO	PRO	LEU	LEU	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	1 - 9	14 - 22
1	5	2	LEU	LEU	VAL	VAL	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	12 - 59	25 - 72
1	6	2	ILE	ILE	ILE	ILE	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	61	74
1	7	2	LYS	LYS	LYS	LYS	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	63 - 64	76 - 77
1	8	2	TYR	TYR	MET	MET	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	66 - 99	79 - 112
1	9	2	VAL	VAL	ASP	ASP	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	102 - 103	115 - 116
1	10	2	ALA	ALA	ASN	ASN	(chain 'A' and (resid 1 through 10 or resid 12...	A	A	105 - 113	118 - 126
2	4	2	PRO	PRO	LEU	LEU	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	1 - 9	14 - 22
2	5	2	LEU	LEU	VAL	VAL	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	12 - 59	25 - 72
2	6	2	ILE	ILE	ILE	ILE	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	61	74
2	11	2	LYS	LYS	MET	MET	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	64 - 99	77 - 112
2	12	2	VAL	VAL	ASP	ASP	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	102 - 103	115 - 116
2	13	2	ALA	ALA	ASN	ASN	(chain 'B' and (resid 1 through 10 or resid 12...	B	B	105 - 113	118 - 126

NCS ensembles :

ID
1
2

#1: Protein	Endoribonuclease MazF / SaMazF / Toxin MazF / mRNA interferase MazF Mass: 14952.206 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus subsp. aureus N315 (bacteria) Gene: mazF, SA1873 / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: Q7A4G9, Hydrolases; Acting on ester bonds
#2: Antibody	Nanobody 4 Mass: 14542.793 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli BL21(DE3) (bacteria)
#3: Chemical	ChemComp-EPE / 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / HEPES Mass: 238.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₈H₁₈N₂O₄S / Comment: pH buffer*YM
#4: Chemical	ChemComp-MPO / 3[N-MORPHOLINO]PROPANE SULFONIC ACID Mass: 209.263 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₇H₁₅NO₄S / Comment: pH buffer*YM
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 145 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.18 Å³/Da / Density % sol: 43.62 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 10% w/v PEG20000, 20% w/v PEG-MME 550, 0.1 M MOPS/HEPES pH 7.5

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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: Jun 6, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.978 Å / Relative weight: 1
Reflection	Resolution: 2.04659385326→37.8590716537 Å / Num. obs: 29592 / % possible obs: 94 % / Redundancy: 1.96 % / B_iso Wilson estimate: 22.6890905514 Å² / CC_1/2: 0.997 / Net I/σ(I): 8.75
Reflection shell	Resolution: 2.04659385326→2.17 Å / Num. unique obs: 4611 / CC_1/2: 0.86

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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: 2.04659385326→37.8590716537 Å / SU ML: 0.375124675065 / Cross valid method: FREE R-VALUE / σ(F): 1.97682144033 / Phase error: 36.4972878768
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.306648133329	1366	4.99963399458 %
R_work	0.239536835888	25956	-
obs	0.242874958843	27322	86.8357487923 %

Solvent computation

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

Displacement parameters

B_iso mean: 42.145290239 Å²

Refinement step

Cycle: LAST / Resolution: 2.04659385326→37.8590716537 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3403	0	56	145	3604

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.00840941089117	3556
X-RAY DIFFRACTION	f_angle_d	1.09797705389	4840
X-RAY DIFFRACTION	f_chiral_restr	0.0644529991148	561
X-RAY DIFFRACTION	f_plane_restr	0.00679461437991	610
X-RAY DIFFRACTION	f_dihedral_angle_d	14.4367312431	2145

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 (%)
2.0466-2.1197	0.342256970032	94	0.346657724637	1809	X-RAY DIFFRACTION	59.9558916194
2.1197-2.2046	0.439967476381	106	0.318907913026	2087	X-RAY DIFFRACTION	70.3561116458
2.2046-2.3049	0.384554028805	131	0.315339287372	2361	X-RAY DIFFRACTION	79.8206278027
2.3049-2.4264	0.336024438888	144	0.283538398961	2772	X-RAY DIFFRACTION	91.4967053655
2.4264-2.5784	0.360868245035	151	0.27260451708	2867	X-RAY DIFFRACTION	95.90085796
2.5784-2.7774	0.308329470921	148	0.270990918125	2814	X-RAY DIFFRACTION	95.0272698107
2.7774-3.0568	0.336231673685	151	0.262158409899	2858	X-RAY DIFFRACTION	95.3724247227
3.0568-3.4989	0.301061954592	147	0.236839187799	2798	X-RAY DIFFRACTION	93.3143219265
3.4989-4.4072	0.248438504397	146	0.178737138331	2774	X-RAY DIFFRACTION	92.9640241961
4.4072-37.8590716537	0.265812101645	148	0.194513401138	2816	X-RAY DIFFRACTION	94.2748091603

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	4.50848243635	-1.69485964275	2.54212146822	1.63393463567	-1.71606226527	4.25554651138	0.220205256936	0.462505768317	-0.076868458432	-0.227594569753	-0.156545720549	0.0866283495913	0.248516065344	0.187690989435	-0.0304494522711	0.061573760115	0.076740350675	0.0393396676571	0.156786970293	-0.0322114935251	0.141780887895	-29.0487868065	-1.36206336796	-30.7705232006
2	0.472668605078	0.0203098523733	-0.554015314509	-0.00120463791297	-0.00620825344317	1.07032921768	-0.0510207910161	-0.028615972227	0.0602911341136	0.139276335775	0.0596207129241	0.243420660459	-0.0744362342968	-0.194847878446	-0.0741524615111	0.0935381944523	0.144693234267	0.0881718322843	0.36783398399	-0.0925665022294	0.374254819504	-38.0095732975	6.24378216387	-16.6517938572
3	1.13357259066	0.0754303041166	0.259061721731	0.406957069175	0.161604430395	0.405472068057	0.0231291935988	0.00859704003112	0.0251050349626	-0.0185899265215	0.0199509533383	-0.0104289829591	-0.0113254755088	-0.0861976218975	0.0828275705067	-0.121466761639	0.135999405829	0.0617511978297	0.0115459224542	0.00112201931247	0.14845233834	-33.0723763151	-1.37379467995	-24.0092840783
4	0.213883776867	-0.325836230937	-0.173711325725	0.758285635437	0.419835361677	0.371489272235	-0.0531559715298	0.103233242546	0.22639694501	0.0666801526073	-0.00788759317978	-0.0864636755178	-0.301704256384	0.178166536827	0.00999975321091	0.160549775909	-0.0640154246998	-0.0198192875971	0.170250784595	-0.00831788036702	0.23699098992	-22.535572873	10.3417792253	-14.8180511218
5	0.285279920731	-0.0439435599742	0.21317696918	0.226594570644	-0.0144430411752	0.163536253064	0.000583128198434	0.0744363401679	0.081203928343	0.0422946728183	0.0631993516394	0.0123139614483	-0.0449303738578	-0.0869731303514	-0.0323704976285	-0.0675114625817	0.133607295556	0.00855032834182	0.242467817184	-0.0395009569654	0.287195819497	-34.6115352558	1.86074209113	-17.973549038
6	2.36057011124	0.688332136087	0.44164648462	0.442630923992	-0.0933493618195	0.853492150129	0.0158006253157	0.199446806528	0.174104280738	-0.0487054636442	0.0194926859038	-0.0355315757708	-0.0561090554238	0.049869757276	0.019313514649	0.0252604408053	0.0242501325491	-0.005013774439	0.348593252556	0.122238013371	0.379550626844	-28.7820586673	7.36696723214	-28.0408807667
7	0.026864990294	-0.0886610722961	0.0538331140887	0.398605176201	-0.0760579132891	0.23880744447	0.0167759155523	0.126760188576	0.0852707405378	0.0318310126414	0.0242172111647	-0.114035632037	0.0183197788134	0.0994523918178	0.0584449463214	0.0429048807085	0.107780158204	-0.0765532774195	0.277385263371	-0.0264158169387	0.304480203468	-21.4230603389	-4.68984835105	-15.9814182948
8	2.57539664755	-0.868527236229	-1.73111761245	0.983719056625	0.680169976071	1.17649935501	-0.00552610597451	-0.282043188956	-0.00796748529925	0.366916862081	0.0408824903856	0.00142110862332	0.0224677016145	0.122226533125	-0.000999669784602	0.463224616595	-0.0452249137032	0.0243630702913	0.200293162538	0.099044519681	0.16138288133	-33.6388331764	-12.1639675516	-0.853144855362
9	0.000135923076756	-0.000612566135952	0.000444305523766	0.0041908585108	-0.000181625743893	0.00074631183871	9.75683863588E-5	-0.0666471292184	-0.0105677248782	0.085914605681	0.0845375057664	0.113568752994	0.0585171692295	-0.101336304158	-0.0669066219358	0.501405616106	-0.155379299323	0.182502168272	0.489842484278	0.0365174004483	0.36673991901	-44.2469336158	-10.106900812	-5.12982675334
10	0.41992224547	-0.25485446785	-0.213782857892	0.195555447868	0.109236358661	0.119297702372	-0.00779716452699	-0.0410867271029	-0.0820316631172	0.0209667345364	-0.0206976692782	0.0788186422283	0.0186678230966	-0.040901080534	0.00640137363739	-0.0227944673782	0.0413641494218	-0.0144276355985	0.53792636626	0.0732447821463	0.362900953073	-47.0832693379	-3.17431709722	-17.9361015369
11	0.821275208837	-0.357187857929	-0.550356229313	1.85403114388	0.10698442661	1.00923107133	0.00709903690776	-0.0909093394014	-0.0206553597892	0.15112649322	0.087168775773	0.0610406770503	0.24763724965	-0.30974552824	-0.05810308965	0.235650792645	-0.0255503190856	0.0327445449231	0.206552840384	0.00589081668751	0.136937374849	-36.1649700903	-7.90040558468	-6.24283513034
12	0.105518117289	-0.0715639994095	0.0889826925805	1.0129740242	0.246728154525	0.173194676164	0.17820019957	-0.141236209151	-0.0823906178611	0.259624345015	-0.152614914481	0.195813197716	0.262569193877	-0.218417821159	-0.00258111057747	0.558566453232	-0.237683393755	-0.0763478801338	0.254932474305	-0.0327001702745	0.221117971221	-42.0480767912	-19.5651389405	-22.4691362892
13	0.00930848224672	0.0171735318516	-0.0292979285954	0.0303662471455	-0.0528185359555	0.0901469507577	0.0428524437736	-0.0988922050172	-0.0914580423014	0.10563376382	0.0596528673673	0.280512539341	0.105070823911	-0.273961762549	-0.140992244555	0.582183667212	-0.262878493344	-0.0188189281388	0.352201540507	0.145553234791	0.317713811318	-44.0611490557	-22.8800985719	-12.0157816022
14	0.189507460397	-0.208927396637	0.0540500215673	0.742248564819	0.894416631186	1.79121759636	0.0677139829073	-0.0900772013944	0.0316617660889	0.0612139868631	-0.00356096490478	0.21606760252	0.130195375705	-0.242037773598	0.0384759843203	0.184102385705	-0.0105428320281	0.0540167576158	0.29432615751	0.011594082951	0.167954424563	-40.3284991617	-7.73110483027	-12.203427674
15	0.741039882545	-1.09578541124	-0.521093596148	3.29072675738	0.791474984657	0.564551939969	-0.0077216204779	-0.139881950496	-0.0694675680302	0.234297212468	0.0822520923155	0.223603754767	0.0161188598491	-0.103142760654	-0.0109643881756	0.651007199219	-0.20430214474	0.0187908613814	0.537413773364	0.139089243041	0.254748204233	-42.1431358273	-15.5544182785	-2.18417188866
16	0.511235684963	0.229990206441	0.101769814234	1.43703980015	-0.944792735804	0.755594948959	0.0169949916815	-0.0294245457234	-0.176988780516	0.102082233409	0.0241888902278	-0.181512519594	0.365837653436	0.0814953738625	0.0718152366895	0.405693847703	0.121644016232	-0.0520257131832	0.106038917356	-0.0397623375172	0.14489192477	-29.4714799531	-17.3108226594	-15.6823489004
17	0.130373391088	0.135266952338	-0.17134871571	0.158247545206	-0.194047820172	0.24459126453	-0.0510370948222	0.00462053819587	0.155909436081	0.0794798259441	-0.00149760254222	-0.171127155773	-0.076679723224	0.250346162064	0.0901442572076	0.951001708528	-0.249591551048	-0.0792146044277	0.469489614543	0.0806868506698	0.375596161652	-17.4494584594	15.399308593	16.9524460185
18	2.11144568845	0.445135800058	0.738512367927	1.39842670297	0.570784849288	0.400614602225	-0.0405142621901	0.173815799654	0.23160979324	-0.0423808964324	-0.00801987155158	0.106605447458	-0.240984136689	0.0159346417697	0.07058620345	0.945032137288	0.0185588759385	-0.00657396006316	0.476952883535	-0.135164662941	0.380498393843	-25.5308978945	18.7023696326	11.0906744648
19	2.80469103755	0.546370799591	0.664162282004	2.78532653742	-0.047341598467	3.52687465585	0.0411729854424	0.0418255265176	-0.110332055078	-0.009012853938	-0.072490911714	-0.374519391373	0.14941396926	0.403816674764	0.0139505573195	0.591668241774	-0.0185802204449	0.0115468581702	0.31456963341	-0.0331655872816	0.212803047128	-17.8842416007	7.31566351499	9.45957473488
20	2.46433239197	-0.270891862278	1.25860712776	2.1034418123	-1.02425094278	5.7456364006	-0.0691090237821	0.0012620771542	-0.0254844196475	-0.0114159744093	0.114861383423	0.0928891532904	0.0027352588587	-0.100979420848	-0.0554338002096	0.606789179573	-0.227046982354	0.0522933999988	0.390589858997	0.0691068566463	0.219022352601	-26.5679543417	2.5753382766	13.8905520606
21	1.29470739007	0.928322869052	-0.216229820625	1.09566468686	0.188969175297	3.13620540389	0.0369116247799	-0.0267512727235	0.120398581004	-0.0881268985996	0.0197442672235	0.134776565762	-0.185004083015	-0.115212407728	-0.0313979294216	0.773808899854	0.00867566389576	-0.000680500558418	0.466062335309	-0.167867577242	0.227331813184	-23.7789471033	10.9610963997	18.3463806406
22	0.328832527005	0.228762586961	-0.101961363501	0.384558702715	0.165388904012	0.601378840517	0.00708124717109	-0.0964429221234	0.0745045901665	0.288858913327	-0.0815820027774	-0.206290155478	-0.293428448815	0.298385345241	0.0184579235749	0.563363766178	-0.0806994020245	-0.112092029569	0.185557774484	-0.0253804764059	0.212036289367	-19.2321375699	9.85840226097	5.74935483452
23	0.00372909468195	0.00164332672633	-0.0023532380398	0.00101183122634	0.00299259803345	0.00818134131021	-0.00610147940722	0.0511442300574	-0.0507176125693	-0.011049838366	-0.0429108364669	0.0768320887209	0.109931042932	-0.0936280584026	0.0617188748119	0.806365325976	-0.295818791731	-0.217696878839	0.750081988974	-0.0167139060247	0.549230507046	-52.5578951304	-26.9960872057	-46.5236160383
24	1.17268813784	0.161805863177	0.0796028528994	0.545101048227	-0.239368370679	0.159752471327	0.0656005436236	-0.221808321594	0.117735632016	0.148716630071	-0.0364008111436	0.190095472223	-0.158458781897	-0.28083942285	-0.0533673458306	0.90775770519	-0.375270435203	-0.0750598104149	0.74348019001	-0.00445975076893	0.347093395115	-53.1899974126	-20.1659262053	-44.0350093432
25	3.30365231624	-0.642464235366	-0.174433123709	2.84450094492	0.403915054475	3.65472013755	0.0168071493883	0.0112629470804	-0.254895992864	-0.0267394541928	0.0423980443535	-0.0813047202093	0.409373558823	0.196332611751	-0.0576138794166	0.71036859989	-0.212980678877	-0.184048396807	0.434931332729	0.0542489380301	0.224677077236	-42.3858742063	-23.1796576645	-40.6814576838
26	1.23302255495	-0.10229615552	-0.0180908087304	3.36505407313	-0.0826313752897	2.79750407764	0.0370199117745	0.00450923127449	0.0450318475513	-0.00239008621721	-0.0288680490114	0.0617437416825	-0.143150857967	-0.0857417249427	-0.0114505220127	0.720572015961	-0.146821496022	-0.098156976981	0.193148844714	0.0616222659609	0.291510688621	-41.2580415002	-12.9783748995	-44.4453673149
27	0.109840613325	0.0109388653922	0.0281432768459	0.00346530347599	-0.0239746479751	0.629415012182	0.0574246454437	0.0345733337579	0.0555052321571	-0.143365865215	0.0156253620059	0.123602410756	0.00600146878623	-0.270769885879	-0.157799552579	0.888525029837	-0.323663703306	-0.169358637414	0.427107614597	0.139840174517	0.272691877258	-48.2099037569	-18.8632429836	-42.7460218116
28	0.109258484136	0.184168366405	0.207429820266	0.298849880124	0.333265496731	0.376930143124	0.0364460313498	0.0143893132667	-0.0420157676698	-0.0674253475078	0.00136674339274	0.0641680684279	0.284279281144	-0.186524397705	-0.0315822657821	0.815366543946	-0.281659612233	-0.0760972059111	0.261918313244	0.0197121089055	0.188614433608	-43.6538119112	-24.9864302798	-38.1066422765

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 5 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 6 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 71 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 72 through 86 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 87 through 95 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 96 through 113 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 1 through 5 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 6 through 11 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 12 through 22 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 23 through 47 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 48 through 57 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 58 through 71 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 72 through 86 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 87 through 95 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 96 through 113 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 2 through 19 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 20 through 34 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 35 through 53 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 54 through 69 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 70 through 93 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 94 through 128 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 5 through 14 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 15 through 34 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 35 through 53 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 54 through 69 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 70 through 108 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 109 through 128 )

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