PDB-7now: Complex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A re...

ID or keywords:

Entry

Database: PDB / ID: 7now

Title

Complex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution

Components

Anti-Nup98 nanobody MS98-27
Nuclear pore complex protein Nup98Nuclear pore

Keywords

NUCLEAR PROTEIN / Nup98 /

Nanobody /

complex

Function / homology

Function and homology information

structural constituent of nuclear pore / mRNA transport /

nuclear pore /

protein transport /

nuclear membrane
Similarity search - Function

Biological species

Vicugna pacos (alpaca)

Xenopus tropicalis (tropical clawed frog)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Sola-Colom, M. / Trakhanov, S. / Goerlich, D.

Citation

Journal: To Be Published
Title: Complex of Nucleoporin-98 and nanobody MS98-27 solved at 1.85A resolution
Authors: Sola-Colom, M. / Trakhanov, S. / Goerlich, D.

History

Deposition	Feb 26, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Apr 7, 2021	Provider: repository / Type: Initial release
Revision 1.1	Aug 2, 2023	Group: Database references / Source and taxonomy / Structure summary Category: database_2 / entity ...database_2 / entity / entity_name_com / entity_src_gen / struct_ref / struct_ref_seq / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.pdbx_description / _entity_src_gen.gene_src_common_name / _struct_ref.db_code / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_db_accession / _struct_ref_seq_dif.pdbx_seq_db_accession_code
Revision 1.2	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	7now.cif.gz	297.3 KB	Display	PDBx/mmCIF format
PDB format	pdb7now.ent.gz	200.9 KB	Display	PDB format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/no/7now ftp://data.pdbj.org/pub/pdb/validation_reports/no/7now	HTTPS FTP

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Related structure data

Related structure data	5e0qS S: Starting model for refinement
Similar structure data	3uwm-2 4h4e-2 3r1f-1 1knz-3 3zgn-2 3r1f-5 3ke9-2 3utd-2 3uv7-1 3urk-2 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
Experimental dataset #1	Data reference: 10.7554/ELIFE.11349 / Data set type: diffraction image data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#205 - Jan 2017 Nuclear Pore Complex similarity (9) #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: Anti-Nup98 nanobody MS98-27

B: Nuclear pore complex protein Nup98

C: Anti-Nup98 nanobody MS98-27

D: Nuclear pore complex protein Nup98

hetero molecules

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

1

A: Anti-Nup98 nanobody MS98-27

B: Nuclear pore complex protein Nup98

hetero molecules

defined by author
31.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Anti-Nup98 nanobody MS98-27

D: Nuclear pore complex protein Nup98

hetero molecules

defined by author
31.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	113.800, 149.810, 85.090
Angle α, β, γ (deg.)	90.000, 133.089, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

Components on special symmetry positions

ID	Model	Components
1	1	B-1075- HOH
2	1	B-1102- HOH
3	1	B-1103- HOH
4	1	C-366- HOH

#1: Antibody	Anti-Nup98 nanobody MS98-27 Mass: 13919.286 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vicugna pacos (alpaca) / Plasmid: pMSC130 / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express
#2: Protein	Nuclear pore complex protein Nup98 / Nuclear pore Mass: 17332.453 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Xenopus tropicalis (tropical clawed frog) Gene: nup98 / Plasmid: pTP290 / Production host: Escherichia coli (E. coli) / Strain (production host): NEB Express / References: UniProt: A0A6I8SCP2
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 398 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experiment

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

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Sample preparation

Crystal	Density % sol: 84 % / Description: Chunky prisms
Crystal grow	Temperature: 278 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 34% (v/v) PO/OH, 0.1 M Tris-HCl pH9, 0.16 M ammonium sulfate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.033 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 20, 2018 / Details: Dynamically bendable mirrow
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.033 Å / Relative weight: 1
Reflection	Resolution: 1.85→47.83 Å / Num. obs: 88309 / % possible obs: 99.3 % / Redundancy: 6.8 % / B_iso Wilson estimate: 45.5 Å² / CC_1/2: 0.999 / R_pim(I) all: 0.029 / R_rim(I) all: 0.07 / Net I/σ(I): 16.9
Reflection shell	Resolution: 1.85→1.9 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 0.65 / Num. unique obs: 6453 / CC_1/2: 0.395 / % possible all: 98.4

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Processing

Software

Name	Version	Classification
PHENIX	1.16_3549	refinement
PHENIX	1.16_3549	refinement
XDS		data reduction
XSCALE		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 5E0Q

5e0q

Resolution: 1.85→47.83 Å / SU ML: 0.2808 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.5509
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2092	4411	5 %
R_work	0.1838	83773	-
obs	0.1851	88184	99.72 %

Solvent computation

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

Displacement parameters

B_iso mean: 54.54 Å²

Refinement step

Cycle: LAST / Resolution: 1.85→47.83 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4393	0	17	398	4808

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0072	4520
X-RAY DIFFRACTION	f_angle_d	0.896	6127
X-RAY DIFFRACTION	f_chiral_restr	0.0565	645
X-RAY DIFFRACTION	f_plane_restr	0.0054	797
X-RAY DIFFRACTION	f_dihedral_angle_d	3.4218	2844

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 (%)
1.85-1.87	0.478	143	0.4664	2697	X-RAY DIFFRACTION	97.29
1.87-1.89	0.3912	146	0.4351	2762	X-RAY DIFFRACTION	99.01
1.89-1.92	0.378	147	0.3786	2797	X-RAY DIFFRACTION	99.43
1.92-1.94	0.3533	145	0.3641	2774	X-RAY DIFFRACTION	99.42
1.94-1.97	0.3668	145	0.3451	2767	X-RAY DIFFRACTION	99.83
1.97-1.99	0.3604	148	0.3385	2797	X-RAY DIFFRACTION	99.83
1.99-2.02	0.3552	146	0.3234	2779	X-RAY DIFFRACTION	99.39
2.02-2.05	0.3183	145	0.2923	2763	X-RAY DIFFRACTION	99.66
2.05-2.08	0.2799	148	0.2851	2809	X-RAY DIFFRACTION	99.7
2.08-2.12	0.2877	148	0.2551	2809	X-RAY DIFFRACTION	99.8
2.12-2.15	0.2802	145	0.2532	2752	X-RAY DIFFRACTION	99.83
2.15-2.19	0.251	147	0.2355	2799	X-RAY DIFFRACTION	99.73
2.19-2.24	0.2621	148	0.228	2795	X-RAY DIFFRACTION	99.9
2.24-2.28	0.2411	147	0.2244	2795	X-RAY DIFFRACTION	99.83
2.28-2.33	0.2166	146	0.2143	2768	X-RAY DIFFRACTION	99.93
2.33-2.38	0.288	148	0.2122	2826	X-RAY DIFFRACTION	99.93
2.38-2.44	0.2444	146	0.2165	2772	X-RAY DIFFRACTION	99.93
2.44-2.51	0.2461	148	0.2062	2812	X-RAY DIFFRACTION	99.87
2.51-2.58	0.2512	147	0.2107	2787	X-RAY DIFFRACTION	99.97
2.58-2.67	0.2398	147	0.1989	2792	X-RAY DIFFRACTION	99.97
2.67-2.76	0.2245	149	0.1956	2823	X-RAY DIFFRACTION	99.97
2.76-2.87	0.2294	146	0.201	2788	X-RAY DIFFRACTION	100
2.87-3	0.2483	148	0.2021	2797	X-RAY DIFFRACTION	100
3-3.16	0.2188	147	0.2028	2806	X-RAY DIFFRACTION	100
3.16-3.36	0.2288	148	0.1914	2813	X-RAY DIFFRACTION	99.97
3.36-3.62	0.1773	148	0.1686	2801	X-RAY DIFFRACTION	100
3.62-3.98	0.1753	147	0.1532	2800	X-RAY DIFFRACTION	100
3.98-4.56	0.1464	149	0.1264	2821	X-RAY DIFFRACTION	100
4.56-5.75	0.1488	148	0.1235	2828	X-RAY DIFFRACTION	99.97
5.75-47.8	0.1779	151	0.1514	2844	X-RAY DIFFRACTION	99.73

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	4.46816241911	0.747149547821	2.74993961063	1.26576621299	-1.4235073304	5.53465580053	0.151497559527	-0.00370601206089	-0.879021269714	-0.398578712905	0.0384221906316	1.11878884659	0.133719291698	-0.588323516572	-0.19038885148	0.332448657863	-0.0878475971646	0.0262603438074	0.484108626592	-0.0308571879824	0.463643680512	-29.1634874416	54.7588827581	53.8254547519
2	7.99441645589	-3.79688422297	2.91195471948	2.72842806764	-3.5471649512	7.33237674185	0.156257330664	-0.75124534352	-0.755526290096	-0.264893542834	0.378902352571	0.853773087173	0.101062901267	-0.730761327755	-0.420836192274	0.329857278179	-0.0298569160714	-0.00343596344361	0.422323024403	0.0085799835802	0.534844683913	-25.7768370304	53.8533328503	58.3948688254
3	8.90871803774	-2.44432212337	4.34833913082	2.87217932183	-4.45791051815	8.84713639629	0.540011336958	-0.0881033035746	-0.857133831953	-0.173590540509	-0.274974467133	0.372650381471	0.638107600512	0.0871098834902	0.103362864431	0.43411573818	0.0170757753472	-0.0693641797493	0.308836416529	-0.0417740730031	0.481560207532	-16.1822291414	53.1879968345	53.8139866549
4	2.38394810157	3.61139355256	3.39877906186	7.40978652502	2.86750650072	8.30700101353	-0.106919474815	0.912724917881	-0.239127002316	-0.926889046682	0.339792448186	0.363951715533	-0.105767746854	-0.465292024769	-0.486166879283	0.462296607481	0.0677524448957	-0.0901057836274	0.746798562142	-0.106805196233	0.443913037722	-22.1223807474	59.4022234981	44.4395147413
5	2.1512004141	0.314582922758	-0.448896911232	0.21766866964	0.0538919282245	3.54936011015	0.0697790510557	0.138256492552	0.0369816570236	-0.00191028264126	0.0808734695207	0.218211647861	-0.132623571236	0.0930689160207	-0.130462783544	0.479501528803	0.0700749091021	-0.0981439441686	0.365851098161	-0.0421380141648	0.527141224109	-17.9299895225	63.9227456674	55.7550956737
6	5.693769191	-6.00202546284	4.51830328369	7.38862500782	-6.33517309662	6.39326946235	0.17577263266	-0.0720736540203	-0.0259104392881	-0.318511175598	-0.246517254458	0.144224275708	0.14400323259	-0.088211567755	0.0405696477401	0.398981008011	-0.00391079004586	-0.00689563675751	0.393062993824	-0.0264911556987	0.540155218891	-23.1477323766	56.7125538226	61.2681265974
7	9.84579869144	-3.15988811705	0.195942078035	7.76862742973	5.14807350987	5.39991667939	0.199339182202	1.41659117869	0.25799031709	-1.1433704466	-0.391581076032	0.420671723992	-1.35339867856	-0.668958656649	0.232009331543	0.582299628455	0.0957999369159	-0.0736587142481	0.692565658648	0.0115517770173	0.484977023352	-32.4466115246	67.5314215344	47.8071150899
8	2.58432472493	-2.01836419719	-1.23160065013	3.36891080247	-0.594037033634	2.24454051263	0.00893630627402	0.455967989538	-0.576441017158	-0.279687821345	-0.222018099326	0.241061759457	-0.154992217598	-0.157979771222	0.179562898128	0.373728702323	0.0250499263303	-0.0540905355411	0.341203038779	-0.0198228938972	0.365906198912	-16.2056712922	55.4712940598	49.4283626546
9	5.80522992881	2.91466393861	2.2549911729	6.24997667538	-1.34315103485	8.3124398614	0.198935576144	0.150723979098	0.388944897465	-0.123478547373	-0.327265215162	-0.326202972273	0.00584297226567	-0.218758940519	0.292526134122	0.37073538505	0.032545284823	0.00302691246356	0.410145175499	0.0104065258345	0.449275020576	-11.2036651647	59.3410022204	46.2869225158
10	3.34235477037	-2.64846081093	-0.853375991188	7.44386610741	0.251925027757	2.70750092035	0.155468614598	0.0281775860618	-0.718808624005	-0.590084749409	-0.158998929415	1.1864635236	0.156958843336	-0.697903023932	-0.000318203149285	0.392344403495	0.020567131492	-0.110180116329	0.462300509104	-0.109204854662	0.478056028242	-26.7029418051	54.5353407658	48.4306593681
11	0.665119067004	0.956919008369	1.08420843902	4.40583618969	3.37487653945	3.63924394898	0.146820762195	-1.11093646843	0.663434446218	1.22239263036	-0.605440911058	-1.10874422677	-0.344803336974	-0.24462342884	0.445738875718	0.512829088296	-0.210183270186	-0.0613828659403	0.70271216983	-0.0410964517616	0.631285994191	4.79611633244	81.7749847368	57.4459587919
12	7.81209096107	-2.69354044608	3.270189978	2.22202306973	-1.64826017148	5.25973769811	-0.0752164442588	-0.143221731774	0.963571418292	0.18801645627	-0.279926277121	-1.29693285359	-0.37412123424	0.379913202641	0.567316791028	0.493093344623	-0.0766315234652	-0.00740309350821	0.525873999027	0.078243995724	0.614192088604	9.96722614517	80.4843616264	50.4484898012
13	7.5022174581	0.0119768603482	2.24587164889	3.6859718131	-0.766099720816	3.15788776718	0.135054345251	-0.246139691882	0.341114339868	-0.0686151613214	-0.40425689476	-0.31246807532	0.0194251888287	0.0974236637922	0.318364034831	0.336133293387	-0.0266467628235	0.0123115313258	0.401200748142	0.0310401331931	0.323766399967	2.43811527473	77.6364192919	48.509183543
14	3.72146449252	-3.57667170819	1.96225243394	8.6663526755	-0.56131351909	2.66874218451	-0.0286856131973	-0.365589714687	-0.0424655716005	0.134318382186	-0.243446251561	0.199533328136	-0.153399051286	-0.194809699415	0.138901742755	0.401392112989	-0.0183340870342	0.0241659163801	0.427418414801	0.0708862517959	0.30478296758	-6.62475733855	70.7636513093	49.5205467228
15	2.69155132997	-3.79621880418	3.15031399698	6.89503538768	-4.03812703116	3.48836135236	0.0211165124596	0.310392744707	-0.0524295107577	0.457479969277	-0.13034948936	0.0605064591105	-0.151246034226	0.0861183881503	0.0439191098536	0.385464168137	0.0458062631907	0.0525186029676	0.378240488752	-0.00496569646896	0.431977283811	7.64912930113	51.3062124094	52.9552186306
16	2.07692343949	-3.64647452984	2.7043518689	7.57513565383	-4.18652444177	7.24840127782	0.59920187491	1.03658218818	-0.398093104854	-1.10390164621	-0.515459313118	-0.221205285725	0.500894231812	0.748978104812	-0.010290657347	0.501925719721	0.127991872108	0.0680390157478	0.526099069681	-0.035899983884	0.552176200651	12.7416613243	43.7276750113	44.9331875293
17	5.18076872721	-5.1475852562	1.5785217373	5.12406254301	-1.86441331269	6.0585413289	0.430816263399	0.950997645721	-1.29631947575	-0.873292026878	-0.144642232255	0.544073558153	0.492669525445	0.243327174327	-0.323297175152	0.54877917251	0.0272424434271	-0.0452591234059	0.452848203316	-0.0486087979585	0.546383253321	0.027342694764	51.4052667833	42.1710980468
18	6.13862688944	-2.63241636003	-0.882283635428	8.03072071558	-2.19930621151	2.45866149312	0.0756206413866	0.418623967833	0.112202692719	-0.495090063871	-0.505584173525	-1.09110237696	0.467621425025	0.78556605537	0.279174235135	0.395656112061	0.0492636076213	0.130385424378	0.440540981744	0.0474367963209	0.440303805333	7.96800397117	56.6204006143	42.3869819165
19	4.9196827554	-4.75716623705	4.55086163533	4.80168532659	-4.58559376973	7.66215881486	0.605871476444	0.700712156897	-0.238036004121	-0.553896337808	-0.523655397441	0.0372709988422	0.264900150524	0.0990322835354	-0.153767111056	0.458372693832	-0.010027967305	0.00708481692065	0.399591108	0.0726809378936	0.435091455527	-0.504867428191	63.0374008989	43.0834576263
20	6.36175339994	-3.94264781691	1.80231701984	7.26565536167	-1.91494935265	8.09843878883	-0.0121763930672	0.409805631371	1.39704495024	0.0571409950886	-0.185123476986	-1.06610798467	-0.776335376559	0.615102548889	0.288021443064	0.317384469618	-0.146000463834	0.0255475570851	0.499803770067	0.118855229094	0.580207499662	-10.548143565	99.0122640871	34.0462842571
21	6.46778419909	0.938738161654	-4.35533469469	5.31048052715	-1.93406834429	7.62306609915	0.458510509696	-0.214192136783	2.38436783627	0.605559654126	0.186327592345	-0.863145919416	-1.40929343805	-0.160968120712	-0.637288208056	0.738457045705	-0.0209804671529	-0.150300855781	0.511747618777	-0.0382986518764	0.943399380332	-17.2781416452	106.920414784	41.9050881913
22	4.33259138867	-0.867002564204	-0.833067922992	0.918845239986	-0.0110324332283	3.61918629861	-0.0617538134935	-0.0865123085778	0.271250847665	0.213363813765	0.0714684779926	-0.203740331496	-0.204481376093	0.220960300911	-0.0111861438888	0.458730060291	0.00975797880592	-0.0842057995128	0.315901045883	0.0160634916636	0.456155835443	-19.4842947668	94.7077252308	40.9109422306
23	4.24414050692	-3.0345307442	-5.23374971242	3.08170869941	3.84084234628	7.24237581522	-0.299999082823	0.314272353924	0.387427771791	0.0893911499193	0.291613650905	-0.191783741843	-0.272855217294	0.201641820057	-0.136703446342	0.474518595739	-0.0389366263012	-0.0814787819441	0.449008346329	0.0473184978161	0.449435181791	-17.1197585731	97.7844594671	32.3089144622
24	2.2673097348	0.315196219706	1.93035464085	0.266202838002	-0.629904252042	5.23371779006	-0.265242380996	-0.872825376693	-0.147468290864	2.67198322641	0.230518957551	-0.0833458720125	-0.00797858814707	0.0533641403915	0.0934750563086	0.847050569696	0.112642379241	-0.00948622442945	0.663566622271	0.0787553690616	0.314903264084	-31.2896151405	83.9571130373	69.9242171731
25	2.0950858874	-2.44369879974	1.48480202246	2.83540059725	-1.86213532964	2.65136064435	-0.382780696692	-1.08172951938	-0.402206215539	0.979865699245	0.355205652092	1.0988950594	-0.0278124543473	-0.51418733972	-0.176523050885	0.734662083741	0.173868662539	0.209924197322	0.666824058716	0.100087660966	0.552511261376	-39.7204367719	82.3261219377	68.0041736612
26	2.10550895579	-2.52821425098	0.656681728408	7.54035519025	-1.6924603269	2.78790407708	-0.236341231209	-0.349233633669	-0.459785782344	0.655320587025	0.340532673068	0.746396350526	0.19528207894	-0.00600938612845	-0.115821248615	0.505099349049	0.089965421204	0.101641746789	0.486114329088	0.0531840041636	0.487038693313	-36.9447257174	76.278304631	62.5965729603
27	3.19933805961	-0.626467742927	0.560343315253	6.82781906311	-0.031655012389	3.95034224287	0.122684370771	-0.136728686559	-0.162889884242	-0.110613343459	-0.298044243221	0.721966892616	-0.125618798424	0.0509559019226	0.199455099021	0.405755852402	0.0550068578396	0.0559232079443	0.421697107218	0.0230163126756	0.411560114999	-36.8999796166	84.1939160367	58.9735882678
28	5.26558005337	-5.6812175928	5.69042724943	6.15231741409	-6.09692028607	6.18087833788	-0.221090987665	-0.395406919053	0.735747223253	0.839204313846	-0.125496911375	-0.487756540534	-0.813873757607	0.329613827237	0.460483654884	0.593473436654	-0.014417581405	-0.0433820813058	0.486932874033	-0.0102441226054	0.354726114474	-29.9977305978	91.4479923669	61.04748394
29	5.22760308527	-0.742807507519	-2.44768761184	7.40037496336	3.32045168885	5.60186385006	0.0498702368353	-0.28426001635	-0.284302475936	0.0118261869622	-0.20803565211	-0.276986295939	0.0363881602965	0.402050881655	0.1263585798	0.417159694879	0.0220183754015	-0.0744543165665	0.385701731988	0.0612534539668	0.350449704541	-29.0694042572	87.4277039042	52.6723492844
30	0.729894309623	-1.41701665828	-0.198976298934	5.98517569356	2.48665252246	1.15522898839	0.0271278155571	0.0336466886872	0.122015495755	0.370500397202	-0.119288841004	-0.108109195536	0.108191670597	-0.0188943257831	0.099154829306	0.409273325225	0.0617718845449	0.0125552714457	0.380769446648	-0.019086120708	0.495449339112	-42.2171591086	108.199005626	55.4103200576
31	5.86758880005	-0.268430711108	1.68648544029	1.99524600572	-1.6349349639	1.69842910072	0.0221354196603	0.436665362905	0.490195605696	-1.00138467916	-0.0945740578542	1.06719982869	-0.0866372138065	-0.863055224446	0.181032223632	0.410974082191	0.118646497553	-0.0705895419083	0.457689831631	-0.0415569637066	0.622248336392	-51.4054790218	112.150441757	48.3874517639
32	7.14188390805	-6.12405620017	-2.88316210442	8.43935580856	2.59892381742	6.46843155328	0.442077365344	0.57400166058	-0.167389985168	-0.238777417927	-0.38264566182	0.369460286628	-0.338022096226	-0.375808043939	0.00454205034142	0.450596266032	0.0657088508834	-0.0250181189733	0.375600022147	-0.0651889954032	0.389341946558	-43.5328947021	99.684832904	44.86400263
33	5.05360206819	-4.92319764858	-4.21023401268	4.78963976602	4.02657866448	7.78378819877	0.170296622171	0.394473660061	-0.31117640248	0.100098842989	-0.331581458642	0.424634747481	0.0980848444373	-0.378755309217	0.267888597181	0.473538392922	0.0340701981157	0.00573391752739	0.329503763033	-0.0187956236462	0.427707586912	-41.9065562182	94.7684994127	50.5377169221

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 18 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 19 through 27 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 28 through 40 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 41 through 53 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 54 through 74 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 75 through 84 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 85 through 92 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 93 through 106 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 107 through 115 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 116 through 129 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 714 through 726 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 727 through 738 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 739 through 781 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 782 through 804 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 805 through 825 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 826 through 833 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 834 through 845 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 846 through 857 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 858 through 866 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 2 through 18 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 19 through 33 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 34 through 115 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 116 through 129 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 714 through 726 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 727 through 738 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 739 through 755 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 756 through 773 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 774 through 781 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 782 through 804 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 805 through 825 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 826 through 833 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 834 through 853 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 854 through 866 )

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