PDB-6vze: C-terminal domain of mouse surfactant protein B crystallized at low pH

ID or keywords:

Entry

Database: PDB / ID: 6vze

Title

C-terminal domain of mouse surfactant protein B crystallized at low pH

Components

Pulmonary surfactant-associated protein B

Keywords

SURFACTANT PROTEIN / Saposin-like

Function / homology

Function and homology information

Surfactant metabolism / alveolar lamellar body / sphingolipid metabolic process / respiratory gaseous exchange by respiratory system / multivesicular body / collagen-containing extracellular matrix / lysosome / extracellular space / cytoplasm
Similarity search - Function

Biological species

Mus musculus (house mouse)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Rapoport, T.A. / Bodnar, N.O.

Funding support

United States, 2items

Citation

Journal: Mol.Cell / Year: 2021
Title: Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Authors: Sever, N. / Milicic, G. / Bodnar, N.O. / Wu, X. / Rapoport, T.A.

History

Deposition	Feb 28, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 25, 2020	Provider: repository / Type: Initial release
Revision 1.1	Dec 2, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.title / _citation.year
Revision 1.2	Dec 9, 2020	Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3	Jan 20, 2021	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.4	Oct 11, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / 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	6vze.cif.gz	385.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6vze.ent.gz	290.9 KB	Display	PDB format
PDBx/mmJSON format	6vze.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6vze_validation.pdf.gz	263.4 KB	Display	wwPDB validaton report
Full document	6vze_full_validation.pdf.gz	263.4 KB	Display
Data in XML	6vze_validation.xml.gz	1.1 KB	Display
Data in CIF	6vze_validation.cif.gz	6.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vz/6vze ftp://data.pdbj.org/pub/pdb/validation_reports/vz/6vze	HTTPS FTP

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Related structure data

Related structure data	6vynC 6vz0SC 6vzdC 6w1bC 7mbkC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2ql3-4 3znz-d 3hgk-4 5o74-6 4ksl-12 3ebn-d 4jbm-1 3qfu-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Experimental dataset #1	Data reference: 10.15785/SBGRID/767 / Data set type: diffraction image data / Metadata reference: 10.15785/SBGRID/767

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

B: Pulmonary surfactant-associated protein B

E: Pulmonary surfactant-associated protein B

H: Pulmonary surfactant-associated protein B

D: Pulmonary surfactant-associated protein B

F: Pulmonary surfactant-associated protein B

G: Pulmonary surfactant-associated protein B

C: Pulmonary surfactant-associated protein B

A: Pulmonary surfactant-associated protein B

hetero molecules

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

1

B: Pulmonary surfactant-associated protein B

D: Pulmonary surfactant-associated protein B

C: Pulmonary surfactant-associated protein B

A: Pulmonary surfactant-associated protein B

hetero molecules

defined by author&software
Evidence: The total buried surface area between the two dimers that form the apparent tetramer is approximately 1000 square angstroms, suggesting that the tetramer could represent a physiologic ...Evidence: The total buried surface area between the two dimers that form the apparent tetramer is approximately 1000 square angstroms, suggesting that the tetramer could represent a physiologic complex. In addition, the tetramer crystallizes at low pH and the protein is found in vivo in the lysosome-like lamellar body organelle, which also has a low pH.
35.2 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: Pulmonary surfactant-associated protein B

H: Pulmonary surfactant-associated protein B

F: Pulmonary surfactant-associated protein B

G: Pulmonary surfactant-associated protein B

hetero molecules

defined by author&software
35.1 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	52.193, 79.008, 71.917
Angle α, β, γ (deg.)	90.000, 106.428, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1

NCS domain segments:

Ens-ID: 1 / Beg auth comp-ID: THR / Beg label comp-ID: THR / End auth comp-ID: GLU / End label comp-ID: GLU / Auth seq-ID: 3 - 73 / Label seq-ID: 3 - 73

Dom-ID	Component-ID	Selection details	Auth asym-ID	Label asym-ID
1	1	(chain 'A' and resid 3 through 73)	A	H
2	2	(chain 'B' and resid 3 through 73)	B	A
3	3	(chain 'C' and resid 3 through 73)	C	G
4	4	(chain 'D' and resid 3 through 73)	D	D
5	5	(chain 'E' and resid 3 through 73)	E	B
6	6	(chain 'F' and resid 3 through 73)	F	E
7	7	(chain 'G' and resid 3 through 73)	G	F
8	8	(chain 'H' and resid 3 through 73)	H	C

#1: Protein	Pulmonary surfactant-associated protein B / SP-B / Pulmonary surfactant-associated proteolipid SPL(Phe) Mass: 8752.949 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Sftpb, Sftp3 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta-gami 2 / References: UniProt: P50405
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 167 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.03 Å³/Da / Density % sol: 39.44 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 170 mM ammonium sulfate, 21-23% PEG 4000, 15% glycerol

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
Detector	Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Nov 16, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.979 Å / Relative weight: 1
Reflection	Resolution: 1.9→68.98 Å / Num. obs: 43545 / % possible obs: 97.42 % / Redundancy: 3.5 % / B_iso Wilson estimate: 36.19 Å² / CC_1/2: 0.991 / R_merge(I) obs: 0.1057 / Net I/σ(I): 9.54
Reflection shell	Resolution: 1.9→1.968 Å / Redundancy: 3.5 % / R_merge(I) obs: 1.102 / Mean I/σ(I) obs: 1.09 / Num. unique obs: 4071 / CC_1/2: 0.211 / % possible all: 93.14

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Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
XDS		data scaling
Coot		model building
PHENIX		phasing
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6VZ0, residues A26-V45

6vz0

Resolution: 1.9→68.98 Å / SU ML: 0.2798 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.0944

	R_factor	Num. reflection	% reflection
R_free	0.2398	2129	4.95 %
R_work	0.2102	-	-
obs	0.2117	43047	97.23 %

Solvent computation

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

Displacement parameters

B_iso mean: 49.21 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→68.98 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4680	0	15	167	4862

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0041	4799
X-RAY DIFFRACTION	f_angle_d	0.7399	6502
X-RAY DIFFRACTION	f_chiral_restr	0.0406	698
X-RAY DIFFRACTION	f_plane_restr	0.0045	860
X-RAY DIFFRACTION	f_dihedral_angle_d	19.0138	1756

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 (%)
1.9-1.94	0.3832	122	0.3774	2477	X-RAY DIFFRACTION	88.22
1.94-1.99	0.353	132	0.3185	2730	X-RAY DIFFRACTION	97.88
1.99-2.05	0.3313	135	0.295	2727	X-RAY DIFFRACTION	97.98
2.05-2.11	0.3151	132	0.2785	2693	X-RAY DIFFRACTION	95.83
2.11-2.17	0.2851	140	0.2672	2727	X-RAY DIFFRACTION	97.32
2.17-2.25	0.2734	122	0.2549	2751	X-RAY DIFFRACTION	97.56
2.25-2.34	0.3074	134	0.2249	2735	X-RAY DIFFRACTION	98.19
2.34-2.45	0.2296	150	0.2193	2763	X-RAY DIFFRACTION	98.78
2.45-2.58	0.2733	148	0.2201	2705	X-RAY DIFFRACTION	97.24
2.58-2.74	0.2805	164	0.209	2778	X-RAY DIFFRACTION	99.06
2.74-2.95	0.254	161	0.2116	2733	X-RAY DIFFRACTION	98.77
2.95-3.25	0.2724	159	0.2063	2778	X-RAY DIFFRACTION	98.89
3.25-3.72	0.1898	122	0.1802	2777	X-RAY DIFFRACTION	97.77
3.72-4.68	0.1866	154	0.163	2756	X-RAY DIFFRACTION	97.91
4.68-68.98	0.2285	154	0.2172	2788	X-RAY DIFFRACTION	97.1

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	0.977235062783	-0.0175095882827	-0.23230402938	0.140349312332	0.174752962502	1.57457924153	-0.0865430247989	0.372548914751	0.0468611134018	-0.137517219189	0.237637515292	-0.0322254892536	-0.0350791446407	-0.33782621095	-0.000178560151875	0.275550790169	-0.00265560413676	-0.0307640414682	0.361857172523	0.0571327943482	0.32423538578	-7.70667453338	71.0102681885	-11.6485706527
2	0.261546161524	0.0955989695832	-0.154911324364	0.376254511161	-0.166712269126	0.18636252068	-0.167019450058	0.276725586017	-0.242093885075	-0.487391024005	0.384897278653	-0.802285066868	-0.0143999344599	0.205212352095	6.88806192845E-7	0.347466687274	-0.0266146707294	0.0413199410663	0.316332937068	-0.0193212372916	0.317122088815	14.9399314355	80.7167635149	-13.9318700218
3	0.153491935347	-0.00219012955801	0.051313491344	0.120957995826	0.129981060899	0.119953062503	0.249202019004	-0.273167058328	-0.832181490911	-0.168076435655	-0.187553315492	-0.203546373008	0.0526138965018	-0.0902178153039	3.58964914617E-6	0.338851327218	-0.00115946005361	-5.45874150991E-5	0.39004219125	0.0329249031561	0.430549157106	4.01084556008	66.4344654664	-12.7753933822
4	0.264337600419	-0.10860273253	-0.288295606464	0.118461430027	0.00881623504862	0.459681427532	0.0191084970249	0.279929186346	-1.38154280663	-0.333429117287	-0.210746528262	0.551538872844	0.530545309571	-0.687553615633	-0.00723441773211	0.387840787793	-0.0320073487244	-0.108302984504	0.441621486742	0.0198891945985	0.523389792992	-12.6406213223	59.0256010295	-3.56416035943
5	1.3117117341	-0.213192721371	0.902813862065	1.07299643187	0.508449724875	1.15982769273	0.107411597413	0.296626613448	-0.17164549626	-0.037943141893	-0.0293898621422	0.243023046052	0.0646685229605	0.208533400863	0.0126124628182	0.306289239441	0.0357532564336	0.00332005851003	0.363844919727	-0.0461583514751	0.290962740491	10.8017072351	51.9657519932	22.2208831353
6	0.934124120129	0.155736214863	0.646811324278	1.13132487853	-0.354116567642	0.68762867131	-0.742534261964	-0.595083669267	-0.901174243359	0.74170573564	0.9136932023	1.56673856237	0.69715027897	-1.12603061496	-0.0867450547553	0.565421880948	-0.0130381042784	0.144317624985	0.45017835366	0.106538847775	0.538070021424	-5.01393501008	43.8590138809	37.4730290076
7	0.277811434446	-0.080493597302	0.202707351665	0.0765166396754	-0.172165144268	0.302963247454	0.370534491363	-0.603397621715	0.541195307021	-0.114373641941	-0.17107777837	0.104407616146	-0.357279901243	0.264399731841	0.000482951085119	0.385221950696	0.0193541737088	0.0604216335845	0.329419611604	-0.0591376310793	0.337037332002	3.19441479568	57.7061877472	29.3914023579
8	0.0855865608282	0.0847267495592	-0.0368894313927	0.274115842328	-0.164128915035	0.327475063455	0.0449333562821	0.483704114452	0.877086174645	-0.0433758760191	0.045381056158	-0.0932141227205	-0.887313170598	-0.36064620273	-0.000274482844277	0.488399030574	0.0286196550305	0.0908804039296	0.41610159767	-0.00885405304128	0.406164603311	19.2422779781	64.4228515993	23.1833785192
9	2.96574991649	-0.152321794341	2.89450667754	2.23323435554	-0.0574910058179	2.85343661367	0.497540161422	0.775453035924	0.296543946997	-1.17515326795	-0.03114603189	-1.02770373645	-0.175370163465	0.813379883161	0.33579357688	0.475502001219	-0.0473792129967	0.173821632064	0.380481035512	0.0383057879675	0.463212826369	27.1264321054	67.6564793581	20.9483106452
10	0.401238714603	0.454762764732	-0.426792979357	1.07530348489	-0.0305563994359	0.597341804748	-0.310993865333	-0.647157139429	-0.097699726763	-0.0288818487942	0.34969992082	0.0602045703374	0.0691767768927	0.238530174651	-1.50473886202E-6	0.31495734217	0.0338090648327	-0.0315512091179	0.351956874326	-0.00604065550032	0.292907804035	24.3315192229	65.3986386629	43.2110798933
11	0.620436932048	0.0179787360152	0.226318224095	0.360235222585	0.23791508769	0.237069742758	-0.369612191842	0.781215050971	0.402218772624	-0.374621081273	0.0116497862902	0.173541680446	-0.257982366123	0.043247569642	-0.0373098828024	0.439865758204	-0.0071782909922	-0.0867761269912	0.31742848051	-0.030349994638	0.413415225881	2.24595265162	83.6445293473	41.9569199047
12	0.882106773127	0.545628500272	0.133274165544	0.902307858446	-0.184578381633	0.209998455018	0.191586480867	0.0908168073429	0.173005069646	0.844349256449	-0.424885842117	0.962759786921	0.344487351484	-0.407901652291	-0.0996972820187	0.588344197871	-0.112949453192	0.161692890323	0.406717215039	-0.117483024424	0.449201831816	1.25761179746	71.4746080623	43.8366805692
13	1.53777001477	0.512855937495	0.442570020605	0.19188544181	0.163375140891	0.144098452152	0.00856959962237	-0.267812633685	-1.09391857201	0.264788267371	0.0955064861451	0.179589257302	0.523462307157	-0.706245789108	0.0438634051295	0.372704717887	-0.0150826836616	-0.0272378805377	0.438483117588	0.0767229623596	0.403126590079	24.5421533122	56.7021809929	37.2811607069
14	0.659472998777	0.309789880443	-0.936730304727	0.368072411423	-0.560803109795	1.31721909842	0.362276404541	0.186662014608	0.0882776706898	0.0309763383035	-0.0366568524389	0.0122889792935	-0.137148666679	-0.0692688422836	0.00515962222161	0.286863292535	-0.0128096381291	0.011314957173	0.278490917932	0.00993348046408	0.312995361315	-2.17869756976	76.1545659832	-8.25329733344
15	0.199742753389	0.0955990482788	-0.0205857483046	0.146431698805	-0.0172496579076	0.172836970135	0.0926760008966	-0.343186608285	0.329249140871	0.0962225856972	-0.233729094901	0.803072726386	-0.155907459389	-0.973878892811	0.0322012384224	0.328489331221	-0.0362423061663	-0.030225970406	0.582481141123	0.0807504839855	0.597772971172	-25.8942987296	70.1067736656	-8.07253082608
16	0.158383323576	0.133107038903	0.0249702054336	0.0854579737445	0.039856931361	0.301364872169	0.0253958604969	-0.145608954499	-0.16718699042	-0.571821425404	0.072750230823	-0.390745241837	-0.0132549936783	0.193636339455	1.41670359659E-5	0.363442475315	-0.00741708665849	-0.00890267460673	0.37360638419	0.0492465743901	0.312010120118	-10.1479479883	72.2151664615	0.159077681783
17	0.207177954455	0.186558861556	0.000649435928519	0.439190649557	0.193360019484	0.0823543839702	0.600636423825	-0.691908030057	0.377056863743	0.172856132341	-0.322625649079	-0.731214868397	-0.453502270377	0.42606080024	3.31895996799E-6	0.338755819664	-0.0621070293543	-0.0425262989848	0.428761718611	0.041602549158	0.46566722768	10.3934462912	69.9543756341	-0.885383476949
18	2.69777976385	0.0402558551689	0.0689136906404	0.989947177125	-0.372981162288	0.228322375567	-0.0141494095795	0.263738020507	-0.630815040594	-0.0441952005888	-0.102952932108	-0.135489251346	0.323345688083	0.202453509208	-0.0056619742141	0.303806694096	0.0277784036269	-0.0455785262275	0.336935564534	-0.108673837474	0.457604941077	16.8930221003	49.3702644082	23.9237964702
19	0.0697719450443	0.0593566070408	-0.16473317996	0.234364972569	-0.252969803498	0.308995329074	0.509325472048	-1.00085282629	-0.235398233522	0.334630737987	-0.29802037391	0.173592600115	-0.225170324319	0.121198048215	-2.89821911351E-6	0.419444682386	-0.0670153903791	0.038651211349	0.42393237631	0.00923578869591	0.367349693583	7.67606649318	54.973575291	42.4126744524
20	0.632720505267	0.0954907454315	0.758803249553	0.169845217931	-0.0383639330781	0.655782086954	0.0232225006169	-0.447200468498	0.529877098678	0.0569137846629	-0.102893157574	-0.132099200711	-0.131411633972	-0.150800812406	-4.20236640201E-8	0.374935448707	0.0326295023315	-0.0187632115156	0.27423632312	-0.05642239961	0.364341635266	15.9750132042	73.4081047124	38.1580726155
21	0.403920544858	-0.563482193234	0.030227881166	1.29558130751	0.564197895484	0.729029223083	-0.220238143221	0.290961857035	0.244629279085	0.0247150936674	0.171904710613	-0.184251419002	-0.384905100767	0.397631193523	-2.02586752207E-8	0.404202052832	-0.0193945081921	-0.0221066187808	0.384419072425	-0.0266877144649	0.386575447176	33.9729259374	67.4211155426	35.9155463578
22	2.01092052262	-0.0821037581497	0.0443073891546	0.202744711078	-0.192128539004	0.187944297294	-0.0432018408505	0.890752088683	0.689447702049	-0.395000078709	-0.00520387484722	0.457698083738	0.0990093483628	-0.416442016283	-0.0349577286711	0.472060116848	-0.00717887048675	0.0149068678576	0.437401596096	-0.0733770470728	0.295744404541	3.21220102661	67.1435317358	29.5468889833
23	0.827949179129	-0.176791672891	-0.577460176991	1.22452191955	-0.22632531893	0.441883251076	-0.119204169625	-0.0206101204461	-0.131486570928	-0.0622999712147	0.0723302131404	0.0139145191867	0.445368912371	-0.0105626840044	4.49150124473E-7	0.328366005328	0.028701471357	-0.0352643297953	0.296002603829	-0.000490598853723	0.31615677251	3.03244977856	51.1833008784	3.51049137139
24	0.233673886469	-0.338292391043	0.0727019697726	0.697386080801	0.0621587393863	0.125848962274	0.0904074637314	-0.876856023512	-0.404321080096	0.288752165196	0.300638942617	-0.258862034582	0.131212841926	-1.57353001106	0.0119742945124	0.442517550343	0.0259370641495	-0.0550447590089	0.680432172913	0.0989386626664	0.493118035844	-11.9733015702	58.0242881748	21.634850576
25	0.114590814649	-0.123928188341	0.157844609321	0.245954564272	-0.0511212858572	0.22784560237	-0.0463198304493	-0.456549640903	0.246572343297	-0.0129305061638	0.434479657553	-0.0311971579075	0.268315951654	-0.00349834429177	1.63233320654E-6	0.370639846048	0.0108451696262	-0.0508319883629	0.323824698363	0.0813257314942	0.426167269168	-8.18673919576	56.1746304166	4.38489171068
26	0.117857182563	-0.063617194342	-0.0527107472386	0.0571320674314	-0.00796022612482	0.260634694468	-0.141444441547	0.711933279707	-0.244352069053	-1.12881781927	0.187217779021	0.900775771919	0.683780984157	-0.698808792199	7.66380271471E-6	0.401878803382	-0.0592109163695	-0.0940708021979	0.421388777896	-0.00868562550606	0.43156998785	2.97111141606	56.477343831	-9.90726678401
27	3.48515555196	2.51331573862	-1.95413893191	2.01249019064	-0.672620875689	3.81411534474	-0.450494365879	-0.512034799555	-0.0119521160643	0.528585240553	-0.628905867384	0.0403698312117	0.49398011836	0.512277485998	-1.13879931522	0.445487518967	0.0220879635951	0.209515408191	0.173816384682	0.129969211534	0.652032427977	10.2872611628	58.7971359938	-15.0236264468
28	1.10167013388	0.745702394278	-0.245955665629	0.85487400669	-0.355036854461	1.10250678427	0.220856315589	-0.303234662306	0.139862382705	-0.35015590643	0.0739025653698	-0.100755024536	-0.214478826118	0.259233074809	0.000242905585516	0.314371404916	0.0326915896211	-0.0456560224711	0.303421826348	0.0454997867559	0.276009961227	4.42687583415	54.428175888	7.54044000806
29	0.433655148122	-0.0296623752877	-0.0161292210725	0.0818102536204	-0.179625707215	0.315268529549	0.136139749048	-0.0663461834537	0.123567135078	-0.406229557155	-0.00203216169683	-0.598902223958	0.132294874868	0.416959842839	1.12615977562E-7	0.355897078005	0.0486083672278	0.0483847278108	0.383888591463	0.0074652267742	0.395122830607	17.0903573531	53.6451049857	-3.14414958552
30	0.598504781434	-0.214110321671	-0.240810290001	0.51883811875	-0.267402598445	0.541491391209	-0.529475814722	-0.839385657707	1.23879521805	0.354052484535	0.540841116474	0.029085167077	-0.257550665589	0.324066696198	-0.00525636001958	0.427748275787	0.0179214317303	-0.0291835530616	0.385518625417	-0.00163598364423	0.461903949259	-4.61138467788	68.4884870133	8.49984352485

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'B' and (resid 1 through 33 )
2	X-RAY DIFFRACTION	2	chain 'B' and (resid 34 through 47 )
3	X-RAY DIFFRACTION	3	chain 'B' and (resid 48 through 58 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 59 through 73 )
5	X-RAY DIFFRACTION	5	chain 'E' and (resid 3 through 33 )
6	X-RAY DIFFRACTION	6	chain 'E' and (resid 34 through 47 )
7	X-RAY DIFFRACTION	7	chain 'E' and (resid 48 through 58 )
8	X-RAY DIFFRACTION	8	chain 'E' and (resid 59 through 69 )
9	X-RAY DIFFRACTION	9	chain 'E' and (resid 70 through 75 )
10	X-RAY DIFFRACTION	10	chain 'H' and (resid 2 through 28 )
11	X-RAY DIFFRACTION	11	chain 'H' and (resid 29 through 37 )
12	X-RAY DIFFRACTION	12	chain 'H' and (resid 38 through 55 )
13	X-RAY DIFFRACTION	13	chain 'H' and (resid 56 through 73 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 2 through 33 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 34 through 47 )
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 48 through 58 )
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 59 through 73 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid 2 through 58 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid 59 through 73 )
20	X-RAY DIFFRACTION	20	chain 'G' and (resid 1 through 33 )
21	X-RAY DIFFRACTION	21	chain 'G' and (resid 34 through 58 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid 59 through 76 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 2 through 33 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 34 through 47 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 48 through 58 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 59 through 68 )
27	X-RAY DIFFRACTION	27	chain 'C' and (resid 69 through 75 )
28	X-RAY DIFFRACTION	28	chain 'A' and (resid 1 through 37 )
29	X-RAY DIFFRACTION	29	chain 'A' and (resid 38 through 55 )
30	X-RAY DIFFRACTION	30	chain 'A' and (resid 56 through 74 )

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