PDB-6sws: The DBB dimerization domain of B-cell adaptor for PI3K (BCAP) is ...

ID or keywords:

Entry

Database: PDB / ID: 6sws

Title

The DBB dimerization domain of B-cell adaptor for PI3K (BCAP) is required for down regulation of inflammatory signalling through the Toll-like receptor pathway

Components

Phosphoinositide 3-kinase adapter protein 1

Keywords

TRANSCRIPTION / DBB / TIG/IPT / transcription factor

Function / homology

Function and homology information

: / toll-like receptor 7 signaling pathway / toll-like receptor 2 signaling pathway / toll-like receptor 9 signaling pathway / phosphatidylinositol 3-kinase regulatory subunit binding / toll-like receptor 4 signaling pathway / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / Constitutive Signaling by Aberrant PI3K in Cancer / PIP3 activates AKT signaling / regulation of inflammatory response ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 3 Å

Authors

Lauenstein, J.U. / Scherm, M.J. / Udgata, A. / Moncrieffe, M.C. / Fisher, D. / Gay, N.J.

Funding support

United Kingdom, 1items

Citation

Journal: J Immunol. / Year: 2020
Title: Negative Regulation of TLR Signaling by BCAP Requires Dimerization of Its DBB Domain.
Authors: Lauenstein, J.U. / Scherm, M.J. / Udgata, A. / Moncrieffe, M.C. / Fisher, D.I. / Gay, N.J.

History

Deposition	Sep 23, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 19, 2020	Provider: repository / Type: Initial release
Revision 1.1	Apr 1, 2020	Group: Database references / Category: citation / citation_author Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Apr 15, 2020	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	May 15, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6sws.cif.gz	270 KB	Display	PDBx/mmCIF format
PDB format	pdb6sws.ent.gz	187.9 KB	Display	PDB format
PDBx/mmJSON format	6sws.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6sws_validation.pdf.gz	438.8 KB	Display	wwPDB validaton report
Full document	6sws_full_validation.pdf.gz	441 KB	Display
Data in XML	6sws_validation.xml.gz	18.5 KB	Display
Data in CIF	6sws_validation.cif.gz	25.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/sw/6sws ftp://data.pdbj.org/pub/pdb/validation_reports/sw/6sws	HTTPS FTP

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Related structure data

Similar structure data	4of6-d 5ydc-d 4zqs-d 3imp-4 4czj-1 3cyq-1 4cze-d 5olm-d 3imp-2 3imp-6 Search similar-shape structures by Omokage search (details) 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#143 - Nov 2011 Toll-like Receptors similarity (3) #44 - Aug 2003 Calmodulin similarity (1) #136 - Apr 2011 Nanobodies similarity (1) #148 - Apr 2012 Ras Protein similarity (1) #196 - Apr 2016 Lead Poisoning similarity (1) #21 - Sep 2001 Antibodies similarity (1) #28 - Apr 2002 Anthrax Toxin similarity (1)

Deposited unit

A: Phosphoinositide 3-kinase adapter protein 1

B: Phosphoinositide 3-kinase adapter protein 1

C: Phosphoinositide 3-kinase adapter protein 1

D: Phosphoinositide 3-kinase adapter protein 1

E: Phosphoinositide 3-kinase adapter protein 1

62.4 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Phosphoinositide 3-kinase adapter protein 1

B: Phosphoinositide 3-kinase adapter protein 1

defined by author&software
Evidence: light scattering
24.9 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Phosphoinositide 3-kinase adapter protein 1

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

3

D: Phosphoinositide 3-kinase adapter protein 1

E: Phosphoinositide 3-kinase adapter protein 1

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

Unit cell

Length a, b, c (Å)	87.169, 87.169, 234.075
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	95
Space group name H-M	P4₃22
Space group name Hall	P4cw2c
Symmetry operation	#1: x,y,z #2: -y,x,z+3/4 #3: y,-x,z+1/4 #4: x,-y,-z+1/2 #5: -x,y,-z #6: -x,-y,z+1/2 #7: y,x,-z+1/4 #8: -y,-x,-z+3/4

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	ALA	ALA	LEU	LEU	(chain 'A' and resid 3 through 99)	A	A	3 - 98	3 - 98
2	2	1	ALA	ALA	LEU	LEU	chain 'E'	E	E	3 - 98	3 - 98
1	3	2	SER	SER	LEU	LEU	(chain 'B' and (resid 1 through 40 or (resid 41...	B	B	1 - 98	1 - 98
1	4	2	ALA	ALA	ASN	ASN	(chain 'B' and (resid 1 through 40 or (resid 41...	B	B	101 - 103	101 - 103
2	5	2	SER	SER	LEU	LEU	(chain 'C' and (resid 1 through 29 or (resid 30...	C	C	1 - 98	1 - 98
2	6	2	ALA	ALA	ASN	ASN	(chain 'C' and (resid 1 through 29 or (resid 30...	C	C	101 - 103	101 - 103

NCS ensembles :

ID
1
2

#1: Protein	Phosphoinositide 3-kinase adapter protein 1 / B-cell adapter for phosphoinositide 3-kinase / B-cell phosphoinositide 3-kinase adapter protein 1 Mass: 12474.069 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: PIK3AP1, BCAP / Production host: Escherichia coli (E. coli) / References: UniProt: Q6ZUJ8

#1: Protein

Phosphoinositide 3-kinase adapter protein 1 / B-cell adapter for phosphoinositide 3-kinase / B-cell phosphoinositide 3-kinase adapter protein 1

Mass: 12474.069 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Homo sapiens (human) / Gene: PIK3AP1, BCAP / Production host:

Escherichia coli (E. coli) / References: UniProt: Q6ZUJ8

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.56 Å³/Da / Density % sol: 65.49 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 4.5 Details: 1.3 M NaH2PO4, 0.7M K2HPO4,0.1M sodium acetate pH4.5

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Data collection

Diffraction

Mean temperature: 77 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: BM30A / Wavelength: 0.97, 0.98

Detector

Type: DECTRIS PILATUS3 100K-M / Detector: PIXEL / Date: Dec 9, 2016

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	0.97	1
2	0.98	1

Reflection

Resolution: 3→30 Å / Num. obs: 155144 / % possible obs: 99.4 % / Redundancy: 8.3 % / B_iso Wilson estimate: 94.35 Å² / CC_1/2: 0.99 / R_merge(I) obs: 0.077 / Net I/σ(I): 17.8

Reflection shell

Resolution: 3→3.1 Å / Redundancy: 8.7 % / R_merge(I) obs: 0.9 / Num. unique obs: 15856 / CC_1/2: 0.75 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.17rc4_3626	refinement
PHENIX	1.17rc4_3626	refinement
XDS		data reduction
Aimless		data scaling
SHELXD		phasing

Refinement

Method to determine structure:

SAD / Resolution: 3→29.96 Å / SU ML: 0.4233 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.6162

	R_factor	Num. reflection	% reflection
R_free	0.2382	3392	9.89 %
R_work	0.194	-	-
obs	0.1984	141193	99.57 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso mean: 114.11 Å²

Refinement step

Cycle: LAST / Resolution: 3→29.96 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4144	0	0	0	4144

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0023	4199
X-RAY DIFFRACTION	f_angle_d	0.5684	5706
X-RAY DIFFRACTION	f_chiral_restr	0.0463	682
X-RAY DIFFRACTION	f_plane_restr	0.0037	745
X-RAY DIFFRACTION	f_dihedral_angle_d	15.6792	588

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 (%)
3-3.04	0.3747	132	0.3453	1262	X-RAY DIFFRACTION	99.93
3.04-3.09	0.3907	140	0.3248	1308	X-RAY DIFFRACTION	99.86
3.09-3.14	0.4031	144	0.2982	1288	X-RAY DIFFRACTION	99.93
3.14-3.19	0.3527	137	0.2963	1269	X-RAY DIFFRACTION	100
3.19-3.24	0.3901	145	0.3026	1341	X-RAY DIFFRACTION	99.87
3.24-3.3	0.3535	141	0.3002	1248	X-RAY DIFFRACTION	99.86
3.3-3.36	0.308	144	0.2893	1303	X-RAY DIFFRACTION	99.86
3.37-3.43	0.3471	140	0.2684	1313	X-RAY DIFFRACTION	99.93
3.43-3.51	0.2767	140	0.2431	1286	X-RAY DIFFRACTION	99.93
3.51-3.59	0.3356	142	0.2455	1269	X-RAY DIFFRACTION	99.86
3.59-3.68	0.2871	141	0.2476	1297	X-RAY DIFFRACTION	99.86
3.68-3.78	0.319	150	0.2437	1309	X-RAY DIFFRACTION	99.86
3.78-3.89	0.3064	136	0.2343	1281	X-RAY DIFFRACTION	99.93
3.89-4.01	0.2376	140	0.2267	1291	X-RAY DIFFRACTION	99.86
4.02-4.16	0.2562	150	0.1957	1310	X-RAY DIFFRACTION	100
4.16-4.32	0.2131	141	0.1668	1268	X-RAY DIFFRACTION	99.79
4.32-4.52	0.2213	144	0.1594	1294	X-RAY DIFFRACTION	99.72
4.52-4.76	0.2004	143	0.1365	1301	X-RAY DIFFRACTION	99.59
4.76-5.05	0.1621	138	0.1317	1246	X-RAY DIFFRACTION	97.95
5.05-5.44	0.1742	151	0.1499	1266	X-RAY DIFFRACTION	97.05
5.44-5.99	0.2105	134	0.1625	1285	X-RAY DIFFRACTION	99.72
5.99-6.84	0.1874	143	0.173	1276	X-RAY DIFFRACTION	99.44
6.84-8.59	0.241	141	0.1707	1305	X-RAY DIFFRACTION	99.38
8.59-29.96	0.1811	135	0.1689	1287	X-RAY DIFFRACTION	98.61

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	7.09048307916	1.85263719085	-0.688128085275	3.3214442113	2.91885227818	9.27363437092	0.307340259175	0.131190075958	-0.314351080745	0.00380341023584	0.28916273413	0.137718640681	-0.608691444574	-0.752738848311	-0.824250738433	0.441212198051	0.11324413256	-0.000177012657157	0.65997853417	-0.111394515329	0.48817187262	5.28712546893	36.4194765913	-17.9055375248
2	8.96039762425	1.02176019437	-0.905529721635	7.41641163179	-1.77317621968	2.57434554749	0.139481126855	-0.47036531047	0.14171569871	0.14138753453	0.121840834781	-1.87802592447	-0.527417357345	0.423598381846	-0.443670413928	1.13715102506	-0.0541168490045	0.129039628616	0.814144434186	-0.297199255221	1.04592334761	17.1371032795	49.0238816859	-12.2109789225
3	5.42314717046	1.33673954066	-3.19867738617	6.18007378598	1.58579525772	7.66618551507	-0.492946669591	-0.616600207922	-0.19771112863	-0.036126175856	0.453616394849	0.317542911455	-0.352530347402	-0.43749293464	-0.0776230871422	0.647654378257	0.0780114242561	-0.0155317646132	0.924187488643	-0.140439784862	0.633704499058	3.5620490171	40.595753112	-7.09403195641
4	7.63059712563	1.35139033804	1.02556293963	6.0661648661	1.43550114087	7.82268823973	-0.0297847381788	-0.938120648169	-0.221944225818	0.0173191336274	-0.134323400587	0.273924034236	-0.0654368854484	-0.285361781621	0.148933431954	0.46682302009	0.0764088771148	0.0106916183614	0.7360352708	-0.0913195227288	0.515188482217	3.43010515501	40.950152503	-12.7026004163
5	6.99427994067	4.22501591824	6.32309260302	3.43515744687	2.24700718317	8.60869517218	-0.18465358945	0.85384251921	-0.936363915457	-0.537097205231	0.483732302475	-0.63239909371	0.12024874957	1.50000153493	-0.119782857858	0.676839929668	-0.016740862419	0.169655601638	0.849820139896	-0.207545904001	1.20646403811	-10.2425812066	19.1320345741	-30.4269485132
6	4.87830213694	4.36207683908	0.949565758774	5.78548528774	0.858056203969	6.44210373614	0.632155696176	1.71797752229	-2.73566255459	0.175160198037	0.741333868772	-0.216738511375	0.862797900396	0.819855150247	-0.58688644104	0.469750040023	0.010887964074	0.0900065975659	0.877922888834	-0.31226014317	1.12906757206	10.126308682	28.9391776287	-26.3968621213
7	1.23202277084	3.02856094782	1.65957241021	7.50513122626	4.57160565723	7.23209902965	0.417285544308	0.584060154729	0.146783735352	-0.650554563052	0.256614281448	-1.09604010921	-1.02452822086	1.49308726169	-0.40000547913	0.623457348177	-0.11061398877	0.240516092634	1.29263983134	-0.215750078693	0.87641084578	21.6015390178	38.594181038	-26.7877103593
8	6.83682009691	0.275638558022	5.62952530504	3.47383693945	-0.0359555360431	7.47312598075	0.691002517584	0.848987555303	0.317920682422	-1.7875909987	0.757664548476	-0.164909437686	-0.456784321629	-0.313146307816	-1.30793184877	0.741359174944	0.141868477086	0.321532757535	1.40288155425	-0.386677775969	0.969362586005	19.7014576976	29.502514084	-35.9953690595
9	9.132324494	3.60330027381	-5.27851512257	1.44275317988	-1.72626300917	7.96627876693	-0.00746704074164	1.2203489563	-2.5087994961	-2.9956002205	-1.13051396081	-2.9761568232	1.94691872761	-1.0613770934	0.396445948963	1.57514423975	0.157895598765	0.0711856505561	1.02652477383	-0.298942338592	0.968958796691	15.8817816601	17.5305020404	-38.718189952
10	0.313900666257	-0.851219773834	-1.45063729093	5.46500618775	6.16871928453	8.15367234128	0.178066082665	1.81464110428	-0.625658275754	-1.55083651062	-0.0290562780285	-0.299295502937	-0.872604549798	1.56303537718	-0.419638995681	1.01872863274	-0.0529343891464	0.126086750092	1.69014330364	-0.385600412711	0.792044910269	17.0980846257	36.9076705573	-35.1883715097
11	7.14562830822	-1.38870706805	0.532354041051	6.5431185505	3.67532679961	6.5432364066	-0.274217559598	0.570834151926	-1.03129436326	-0.277470053759	0.513813861436	-0.625008057957	-0.0332776822846	0.11215869829	-0.138383122611	0.518929359035	0.000959845036883	0.0808847110171	0.916431250154	-0.199322920824	0.695714021029	17.5324728806	30.5717599286	-31.8176723067
12	9.05701332813	6.47554525621	-1.31391683725	5.90746760863	-0.590060368723	3.88389110565	0.248616916592	0.166279732942	-2.19049165334	0.0289629622386	-0.271143770421	-0.704953138329	0.12048535421	0.572853282244	0.307723427759	0.551944023127	0.256593188386	0.156012192582	1.22981924845	-0.356369297648	1.03643581062	14.4739323917	24.58574742	-28.5517388785
13	9.56504157158	2.25926997148	-1.07708357939	2.82774676672	1.33136296005	8.19310416577	0.382896635131	-0.715372369143	-1.97428479246	0.481246802543	-0.226562110402	-1.18609117926	1.22223054988	1.88458818338	-0.113787399859	0.750363776934	-0.149428162025	-0.018166254883	1.14873598285	-0.055157151798	1.41342402732	-3.34079371864	17.2858994749	-23.147544585
14	7.29867144949	-1.39720265577	0.90231308844	5.07096166137	-4.26853015638	3.59739489281	-1.49179916067	0.931507461098	1.51456144989	-2.24612983641	2.67422379592	0.0647789650488	-3.78573588771	0.593213769798	0.699433879574	3.20585710326	-0.604436220042	0.586048324457	0.510717547479	-0.342596925215	1.69852379959	-6.07305860492	13.9619531176	-4.34324766134
15	4.56974705515	-3.35822762796	3.39579241601	4.66886193593	-0.930786148841	5.23786506387	-0.641863433806	-0.00156758375565	0.150588930708	-0.00184595317621	-0.133851014113	0.639221483657	-0.949233951999	-0.747720185069	0.684278336119	0.719932869424	0.110920512729	-0.0929698825583	0.653788356182	0.00879761821988	0.952872311315	-30.6107072306	37.761956104	-32.0733162031
16	9.68864396727	4.19894626786	-6.54159055056	3.28195150754	-2.70119915596	4.81154993817	-1.2372946184	1.55114335072	0.86691985753	-0.75243040638	1.62899683392	-0.0120863458891	-2.78096856185	-2.12836840249	-0.694916225898	2.68041080326	0.370050665445	-0.704513200663	1.38849931043	-0.250807835701	1.42108467562	-40.9193227717	53.2599442156	-35.229834492
17	4.23726027273	-2.16583993862	1.15641821569	5.55828012909	0.56907900935	5.43478497442	-1.10308819015	0.600104796116	0.763100199424	-1.15366444432	-0.250682607406	-0.421155541669	-1.8088586041	0.183403593884	0.81294795663	1.47536033327	0.103096084163	-0.528358394361	0.722648771222	0.0650977079126	1.2038940378	-28.4788954425	44.5005575186	-38.9103978477
18	6.14871997409	-5.12538125715	1.11494839755	7.59803074745	-1.23017472605	5.565405501	-0.891545025148	-0.498087018183	0.6071605622	-0.358875257833	0.683609124491	-1.15450825543	-0.983978455355	0.778996092941	0.42372479499	0.823664271249	0.0671916353678	-0.217724151404	0.665861031213	0.0570743579788	1.163528079	-21.4326648048	34.1970606154	-30.6809731645
19	5.86607955627	4.1270041662	-0.231781983396	4.43817733626	-2.35618258056	3.39398513642	-0.421293948741	0.918124743337	-1.16964221716	-2.50860818622	-1.29602452681	-2.97679298078	0.804951406136	-1.21890349105	1.83956881862	1.56420322468	0.256113692172	0.10080618712	1.76798672584	0.477221902298	1.4083917008	-15.6979980069	17.806769972	-12.4690759802
20	4.26566809833	-2.18303319343	-3.77025801899	1.9872299249	1.76322394585	4.68525397387	1.41674272694	-1.24275814012	-1.64590697798	0.190518644503	-0.406647070812	0.403443533794	1.9654908241	1.53943108316	-2.02364629955	1.23220461897	-0.233493057807	-0.45432053087	1.22002786144	-0.0522897125002	0.746510427375	12.4858215637	62.4728673436	-3.95275272126
21	3.61075540049	-2.67064327524	-1.19056822841	3.91024899695	2.50728216966	3.59092685648	-0.67752633714	-0.559994614263	1.34647042628	-1.21898281533	1.35429589732	0.424186710825	-0.871842217198	-0.399139020898	-0.300192138329	1.03689870042	0.0824066709205	-0.228406825193	0.839548770465	-0.150139517961	1.07837141995	12.92445365	75.7308399309	-7.58993962767
22	6.25109008891	0.161459415903	0.0629746792318	8.96572941439	3.00121009793	4.47831525838	-0.585205913095	2.28230511418	-1.70226149222	-2.20005308344	0.592819644442	-0.482002310993	1.05329608383	-0.920360388681	0.753801456375	1.26483190754	-0.214056304953	0.125124621597	0.813792506464	-0.116692244604	0.93901124903	18.7482340677	56.3964563727	-15.3887844854
23	5.88100625627	0.291305759852	0.37793605364	8.2756040999	1.64747069474	3.12616614915	-0.242746314268	1.08686649583	0.789122949609	-0.970173890588	-0.0385408260204	0.804341007418	-0.781792096769	-0.321931345931	0.444529101192	1.22064486626	0.0502355380812	-0.290954578347	0.908783499205	-0.146038270876	0.76214495391	8.68085224121	69.3958590814	-13.9998933739
24	8.0290679886	0.217067558985	3.18360343841	3.46149792129	3.5332278605	4.71609367848	1.67008589353	-0.0911987121746	-1.29973465129	0.187180568925	-0.687960552582	1.20878913372	2.95595047759	-0.0346833704302	-1.29781473386	1.94018380812	0.227604999143	-0.17772451275	0.904592330809	-0.445281799582	2.34102397875	4.06712584349	87.4360352905	2.03089453913
25	5.26918632015	-4.61177495927	-4.05575180531	4.2114360501	3.75610456819	3.36284767133	0.529363114486	-1.9882040355	-0.0813170603582	-1.26705035791	1.4107327398	0.851057757457	1.25748338868	2.82751866474	-2.04005686147	1.89646729423	0.108569045755	0.159337461754	2.05377564793	-0.0260797556534	2.04583070607	9.94098762134	92.8424659761	15.2555707699
26	4.04997658598	3.57265310724	-0.433998415636	4.52423174728	0.413278430971	5.03023630549	1.14210862571	-0.787296934359	0.974831794088	1.06922661691	-0.191731270103	1.28198591111	-0.418248592553	-1.08738638729	-0.721138544473	0.93958339512	0.263680472933	0.282027111215	1.01697009723	-0.0900165534006	0.784628470108	11.9136589256	20.2382545952	-56.7631527106
27	5.20688432072	5.1100976568	-2.93536903221	5.11499240463	-3.34923137381	2.91252226451	-0.629098962162	-0.564142766784	1.65006996494	0.22976704422	0.305877809703	-0.166238442281	-0.937378226664	-0.0600982477	0.252512672434	1.55231548293	0.0360966425276	0.185536858721	1.08390260796	-0.130773986915	1.08959569813	23.5105009281	31.5818361435	-56.6194864732
28	7.05873736702	-0.144610093145	-2.3660595993	3.45806694101	-0.416422677331	7.16539511399	0.0682724892356	-0.697965505255	0.826001348075	0.405538406565	-0.0461329775396	0.455611174603	-0.610955845379	-0.245099241748	-0.170349565826	1.3332888432	0.159351258765	0.284405950762	0.924157599305	-0.271672199204	1.13493979932	15.8065226767	28.1952368592	-51.482067402
29	7.80714970691	-2.71032464217	0.947513880199	4.28434678933	-0.338135804978	1.19870271405	-0.287354399633	-0.432236969534	-0.107900251682	-0.325284598698	0.0211063909613	1.59071610592	0.327023352364	-0.598316135106	0.311463152297	1.34236169561	0.251597286087	0.395767102628	1.06324744888	-0.0243683435818	1.33205800464	2.24575977131	20.2928394952	-55.5318268274

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 23 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 24 through 33 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 34 through 53 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 54 through 89 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 90 through 113 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 1 through 17 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 18 through 32 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 33 through 38 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 39 through 44 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 45 through 53 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 54 through 78 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 79 through 89 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 90 through 101 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 102 through 112 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 1 through 23 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 24 through 32 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 33 through 77 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 78 through 99 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 100 through 109 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 1 through 6 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 7 through 23 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 24 through 32 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 33 through 88 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 89 through 99 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 100 through 112 )
26	X-RAY DIFFRACTION	26	chain 'E' and (resid 3 through 22 )
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 23 through 38 )
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 39 through 78 )
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 79 through 99 )

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