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- PDB-6w1b: N-terminal domain of mouse surfactant protein B with bound lipid,... -

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Basic information

Entry
Database: PDB / ID: 6w1b
TitleN-terminal domain of mouse surfactant protein B with bound lipid, Y59A/H79A mutant
ComponentsPulmonary surfactant-associated protein B
KeywordsSURFACTANT PROTEIN / Lipid-binding / Lipid transfer / Saposin-like
Function / homology
Function and homology information


Surfactant metabolism / sphingolipid metabolic process / respiratory gaseous exchange by respiratory system / : / lysosome / extracellular region / membrane / cytoplasm
Similarity search - Function
Saposin-like / NK-Lysin / Saposin A-type domain / Saposin / : / Saposin A-type domain / Saposin A-type domain profile. / Saposin/surfactant protein-B A-type DOMAIN / Saposin-like type B, region 1 / Saposin-like type B, region 1 ...Saposin-like / NK-Lysin / Saposin A-type domain / Saposin / : / Saposin A-type domain / Saposin A-type domain profile. / Saposin/surfactant protein-B A-type DOMAIN / Saposin-like type B, region 1 / Saposin-like type B, region 1 / Saposin B type, region 2 / Saposin-like type B, region 2 / Saposin (B) Domains / Saposin B type domain / Saposin-like / Saposin B type domain profile. / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine / Pulmonary surfactant-associated protein B
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.31 Å
AuthorsRapoport, T.A. / Bodnar, N.O.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) United States
Howard Hughes Medical Institute (HHMI) United States
CitationJournal: 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
DepositionMar 4, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 25, 2020Provider: repository / Type: Initial release
Revision 1.1Dec 2, 2020Group: 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 1.2Dec 9, 2020Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.3Jan 20, 2021Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 2.0Oct 18, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Non-polymer description / Refinement description / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / chem_comp_atom / chem_comp_bond / database_2 / entity / pdbx_entity_nonpoly / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_ncs_dom_lim
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site.type_symbol / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.mon_nstd_flag / _chem_comp.name / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _entity.formula_weight / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _pdbx_unobs_or_zero_occ_atoms.auth_atom_id / _pdbx_unobs_or_zero_occ_atoms.label_atom_id / _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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Pulmonary surfactant-associated protein B
E: Pulmonary surfactant-associated protein B
B: Pulmonary surfactant-associated protein B
C: Pulmonary surfactant-associated protein B
D: Pulmonary surfactant-associated protein B
F: Pulmonary surfactant-associated protein B
G: Pulmonary surfactant-associated protein B
H: Pulmonary surfactant-associated protein B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)87,99621
Polymers78,3238
Non-polymers9,67213
Water55831
1
A: Pulmonary surfactant-associated protein B
E: Pulmonary surfactant-associated protein B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)22,5576
Polymers19,5812
Non-polymers2,9764
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7290 Å2
ΔGint-83 kcal/mol
Surface area8700 Å2
MethodPISA
2
B: Pulmonary surfactant-associated protein B
C: Pulmonary surfactant-associated protein B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)23,3017
Polymers19,5812
Non-polymers3,7205
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7100 Å2
ΔGint-79 kcal/mol
Surface area8630 Å2
MethodPISA
3
D: Pulmonary surfactant-associated protein B
F: Pulmonary surfactant-associated protein B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)21,8135
Polymers19,5812
Non-polymers2,2323
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7420 Å2
ΔGint-86 kcal/mol
Surface area8960 Å2
MethodPISA
4
G: Pulmonary surfactant-associated protein B
H: Pulmonary surfactant-associated protein B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)20,3253
Polymers19,5812
Non-polymers7441
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2910 Å2
ΔGint-37 kcal/mol
Surface area10140 Å2
MethodPISA
Unit cell
Length a, b, c (Å)90.335, 169.527, 73.714
Angle α, β, γ (deg.)90.000, 126.897, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61
71
81

NCS domain segments:

Ens-ID: 1 / Beg auth comp-ID: LEU / Beg label comp-ID: LEU / End auth comp-ID: CYS / End label comp-ID: CYS / Auth seq-ID: 8 - 83 / Label seq-ID: 8 - 83

Dom-IDComponent-IDSelection detailsAuth asym-IDLabel asym-ID
11(chain 'A' and resid 8 through 83)AA
22(chain 'B' and resid 8 through 83)BC
33(chain 'C' and resid 8 through 83)CD
44(chain 'D' and resid 8 through 83)DE
55(chain 'E' and resid 8 through 83)EB
66(chain 'F' and resid 8 through 83)FF
77(chain 'G' and resid 8 through 83)GG
88(chain 'H' and resid 8 through 83)HH

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Components

#1: Protein
Pulmonary surfactant-associated protein B / SP-B / Pulmonary surfactant-associated proteolipid SPL(Phe)


Mass: 9790.410 Da / Num. of mol.: 8 / Mutation: Y59A, H79A
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-PEE / 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine / DOPE


Mass: 744.034 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C41H78NO8P / Comment: DOPE, phospholipid*YM
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 31 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.88 Å3/Da / Density % sol: 57.32 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 6.2
Details: 100 mM Na/K phosphate pH 6.2, 200 mM NaCl, 47.5% (w/v) PEG 200

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Apr 17, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.31→84.76 Å / Num. obs: 37983 / % possible obs: 97.45 % / Redundancy: 6.9 % / Biso Wilson estimate: 77.25 Å2 / CC1/2: 0.995 / CC star: 0.999 / Rmerge(I) obs: 0.08439 / Net I/σ(I): 13.34
Reflection shellResolution: 2.31→2.397 Å / Redundancy: 6 % / Rmerge(I) obs: 2.03 / Mean I/σ(I) obs: 0.72 / Num. unique obs: 3077 / CC1/2: 0.518 / CC star: 0.826 / % possible all: 80.13

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660refinement
XDSdata reduction
XDSdata scaling
PHENIXphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6VYN, lipid removed

6vyn


Resolution: 2.31→84.76 Å / SU ML: 0.466 / Cross valid method: FREE R-VALUE / σ(F): 0.32 / Phase error: 36.301
RfactorNum. reflection% reflection
Rfree0.2619 1826 4.86 %
Rwork0.2411 --
obs0.2422 37542 97.45 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso mean: 106.28 Å2
Refinement stepCycle: LAST / Resolution: 2.31→84.76 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4992 0 603 31 5626
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00245653
X-RAY DIFFRACTIONf_angle_d0.67257507
X-RAY DIFFRACTIONf_chiral_restr0.0376839
X-RAY DIFFRACTIONf_plane_restr0.0041913
X-RAY DIFFRACTIONf_dihedral_angle_d24.6832387
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.31-2.380.38171090.39562111X-RAY DIFFRACTION74.9
2.38-2.450.35321610.38212749X-RAY DIFFRACTION98.88
2.45-2.530.39821410.35842823X-RAY DIFFRACTION99.76
2.53-2.620.32961180.3452803X-RAY DIFFRACTION99.8
2.62-2.720.37951160.32762839X-RAY DIFFRACTION99.36
2.72-2.850.35441350.32992791X-RAY DIFFRACTION99.12
2.85-30.40741480.3652802X-RAY DIFFRACTION99.73
3-3.180.34811620.30432784X-RAY DIFFRACTION99.66
3.18-3.430.28081730.27982777X-RAY DIFFRACTION99.76
3.43-3.770.26781330.25432805X-RAY DIFFRACTION98.89
3.77-4.320.28911510.2222814X-RAY DIFFRACTION99.76
4.32-5.440.22651410.19892794X-RAY DIFFRACTION98.76
5.44-84.760.18951380.2022824X-RAY DIFFRACTION98.54
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°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)
11.35497968134-1.104253440870.9330230441681.585453400370.4846825237862.612540557880.516595498687-1.384494401320.2097510650112.90622522045-0.198098423794-1.05841748933-1.445276922811.25135548056-0.0004288006756991.13757911915-0.0362194257557-0.004709034355391.21925145045-0.2854771841690.8153550044491.9180368072732.834385869125.5558053447
22.73869722735-1.040601471670.2739522861291.14357423863-0.6208029186162.47089846236-0.0575766519521.615553964221.44040366856-0.8541642293630.606199724895-0.138286500269-1.068858871851.66555725175-0.0001204208872230.846588166442-0.04606045359360.07342079374070.903379618951-0.1071177791670.941735285459-0.83941168681738.80862129966.29883489976
30.621738432243-0.1669697104640.1877574220480.879780084618-1.030144888961.66273910171-0.6146684931190.1697749154490.639652954573-0.3162077788730.5256521877930.881620571149-0.8836652532450.7736260661180.004760470509160.4726055966860.0375876861344-0.06309885128310.6404533032180.1108118642840.797902766515-15.348645053233.70070089452.83633042484
42.47178112545-1.140950276171.350219247062.90419718776-0.9261079213660.5835164807720.36330545330.5651218206421.220754488650.06097385980840.075766398569-0.204342842495-0.8288577832451.08050752813-0.0001904035895121.09209746931-0.03690200798230.1969212691260.902532662185-0.06653678031291.08343676397-7.0769141643643.588817118713.2953819472
53.19543724786-0.9184737525050.1430900392380.5434986734690.2837778585840.946700862313-0.59519987366-2.62665117699-1.382325902561.91355691391.2956084462-1.992985171580.5698389594020.6369036943540.05038978810271.04974448870.117390987762-0.09111707259131.16021451739-0.264574145650.792847711845-6.0206242940834.877525662431.0967852547
62.187757805460.9963239883372.416435961052.37812362130.5808675973052.66875079003-0.4171652153870.542688933067-1.0734928601-0.8608281206990.435792074687-1.275256979280.1699770583590.923643480206-1.80796952903E-50.7447846477320.008615926936170.01045393221961.1280245216-0.07060387229910.8509761588114.2376879419126.064471996218.807960014
73.213288152661.047038638591.621014107322.08672934778-1.264341196552.49537403250.245973048211-0.543488575011-0.2748148367970.4902403922810.1719026662350.06544028970950.489997247804-1.196952170340.0003809676668840.986767246044-0.032473654124-0.03255447012260.9592580330060.004561947119830.864779709316-15.402736942526.478622305923.7498015181
80.7867018938090.517299737351-0.8906413382180.642943900604-0.3516485046230.920299356328-0.00880882805476-0.1277734201660.537102319874-0.4324105343020.6130754896750.393064250428-0.547341524430.511637309537-0.0004772547595660.7419800743210.08914708032320.157532031060.713695112753-0.01117389350890.958188572573-21.635585646837.296215117813.9639363138
93.957832463062.467043376824.806659046175.9735404730.4063539914566.771821339690.138762706346-1.28102713924-0.879404541033-0.07351084829370.6361618850120.3775490053210.479550707396-0.4244209225420.0009816101893460.6637535387240.06515715129510.04313472597330.5843612006360.06009836622320.612875560293-13.198285043922.247658972814.2667619135
101.91725806676-0.430802671441-0.8437080516991.49069042061-1.442359209611.9339584266-0.568610394378-1.16617500925-0.474419877433-0.07109049866270.247198727855-0.4621116525370.691458770220.0247232492931-0.0003668555912460.8382068005330.1026083870530.01043568395190.899885784215-0.04588202552070.880039889536.0237225363325.3202697968.46230471311
110.6982520207570.8915817937490.5469666435851.240050245250.2406934466940.8860131783720.4328773724541.17617683422-0.916405406-1.81264879151-0.672719959610.489320969466-1.24877328738-0.637143090572-0.0006034453497270.989976609748-0.0788253974134-0.06865582254211.163065081750.221465508310.999537376477-32.712686747924.2274306159-16.0013916059
122.3130300411-1.175603070990.1416142924610.863145436380.2593664702123.3415989259-0.532135918075-0.4284786432760.99749682731.251374447810.6914512451930.221975610755-1.20003253069-0.6346126449650.0002694122827170.6325294153410.0336324582899-0.05931467824830.8281034438590.02552547795980.951580946036-36.070951498521.05760631963.16163486275
130.595664004807-0.189971634909-0.8297901183070.6244390203790.08958938076361.33035895465-0.0134667372001-0.460840426165-0.3754822219210.6440020009830.0005914555838110.705844961745-0.825854384093-0.632974111662-0.0001255698217530.6795069931160.02473542440770.0512933969290.6205819839660.01767488081150.756661488488-24.813894879111.18574670718.47746445607
143.530632528491.873173897422.729644648853.185341535382.30369054342.45405671004-0.2977679386480.2509695806240.5781825144580.002444355769951.096074344771.14797499852-0.291371644959-1.036390141692.03960958523E-50.5834215851340.034585484462-0.05066910411070.7826180192490.1628042580340.844341060197-27.351262859826.21405945571.76654464883
150.4270605462-0.354088908064-0.39499800380.638686828455-0.3913120893791.174777169110.5340396253140.720043745741.57314170624-1.384413554671.06605543216-0.597354539231-0.7445467243090.2731315547280.0004735138481591.00090951604-0.1495703491930.07117512149141.247410272280.2451587536311.07954230893-22.96169303126.1467452568-17.1736467387
161.174314235290.2831298821171.620619847331.260736939241.506334747122.54947372749-0.3384804552070.3548926408960.330951453074-0.3930704270890.6325165531330.1392269556120.02060854078520.400928483177-0.0001221999618080.724158583311-0.15160983345-0.1286619427591.097891507850.20931321020.970444654321-38.004291031515.7422349525-14.4805943998
172.88220278754-1.347109122361.108133643511.36456830601-0.7021664649152.07522477435-0.2537910921052.58938618769-0.195223368281-0.5932835466770.753942294298-0.3186803206980.1278931742231.03679991771-0.0002723416432231.07878469366-0.06989328437430.08029451967681.2771909927-0.08405648415410.843595277279-17.927856824412.2966229281-13.1825107499
180.00510899009767-0.17511197346-0.4488270344730.7963353845791.369697787152.323595252840.5935093219660.5513389504970.3403364306910.119352160386-0.07976729517260.05158337572450.7440429442240.241449197694-0.0001363806449580.8322648087360.01377647463450.03499448830440.7328491100260.004634720268370.772777117647-14.604356639816.65266589761.84855233217
190.874910595271-1.81447263714-0.589501414634.25783695616-0.9775262610953.90192287973-0.09037397687260.523792534615-0.0814755996615-0.261946840650.1423802978970.25436159729-0.3897016011350.523217887396-0.0003139012054730.7187574476730.00910544540097-0.03559183242660.776508999869-0.09074496739230.769838774902-24.24380001335.8809233839-7.30298003019
201.16179697467-0.5664300837250.2012470918480.832064562781-1.207825095611.80276069247-0.888663108480.5533143924340.118526259433-0.2660760257350.4903685988380.264988117986-0.2274055983520.1408660029520.0003516219549540.628993760056-0.0714655427802-0.08811309394850.7873305105530.001191353490170.862171707859-43.584279467411.5688585474-6.499660268
214.379415526980.905085961045-4.062912237457.39622698213-0.4480960911053.631323225850.2549894902410.5997464004950.7662576312750.833451989761-0.11658931026-0.198642392448-0.680378181433-0.6703675607870.0003305443728520.9322709009020.0958788445932-0.08183710055340.7801015646820.04750497580030.644192748799-31.224811613258.150229687117.30894432
222.206885745030.76205559098-0.9809476312453.732084551622.920573099485.79491330140.781460122113-0.06197514283341.0978162087-0.0644149653448-0.7259381700250.151804562903-0.762364181051-1.25020066361-0.0001355122194831.106862627210.2159425416740.1337492964990.8838334739420.149378065450.828483991359-35.412276088362.751053430310.1160618031
233.08227564918-0.503385508224-1.194596341743.83001506683-2.120049067681.676821760840.582128654994-1.501627280.4646579010062.40199568943-0.7265907911931.43992937627-0.142180656008-0.682635541314-0.0003573639259491.160057583890.03779204573960.1036017050441.160208934150.1463726238730.806247030296-40.658764600352.845475839223.9905918628
242.98329840562-0.914011930992.437500614146.160556255382.007732560294.92801310782-0.2777703948830.811151789036-0.186266608337-1.01633655059-0.100685883443-0.3699105450160.603454531456-0.970356810847-0.0006023654730320.823610645816-0.0614847375044-0.07337761878960.883047225695-0.02706511918310.748047915185-34.1293953649.69207881242.69998071761
253.432997347480.7837903689630.4987244636532.178602684220.3105554918880.7461178467390.2191889167640.192329100986-0.647873901466-0.159838278092-0.134386126006-0.831761695880.627291784454-0.6180638205020.0001578469790931.0002770914-0.1717775539220.03149768761090.736777274423-0.05741618857141.05222166887-31.431239696943.048879794410.8613892852
264.19398967948-2.39005232361-0.0009276489246141.36387079954-0.0151607508657-0.0364027794254-1.05435218842-3.06845285356-0.06957024710862.579327702670.130483933092-0.7101849862951.67157474217-0.497521115793-0.09681999362411.63096292481-0.207211611159-0.09442771083171.032805473990.2826369608810.614897361362-32.053677345551.23831383228.4603290397
270.727334628310.2022526601140.6774706820340.4584384365670.6564423164570.608958708359-0.6055473574430.0626775494845-1.20100223252-1.878130170560.235261566835-0.2182325413881.34960299756-0.716047022001-0.002868671584731.97118413231-0.1571072667410.4764403191011.41884073642-0.3289602091411.22059250345-22.553568349468.0634839506-21.3574659388
281.57250509726-1.41161558202-1.403988458264.07289168654-1.589444922236.39767240604-0.709830111245-0.644977876434-1.04576965027-0.7187619544550.219855112201-1.315862351621.606787841671.08374208218-0.003317209857011.212783404890.02020164385590.3680737832160.9965025203790.1505300400271.44150809199-13.709653840669.3142053846-1.02184255623
290.244840744157-0.161949596162-0.172786186941.02367898285-0.5369866848170.3702223592270.624328009770.738630692568-1.18182603069-0.722517151274-0.1695495968892.231378064290.7287216163431.12398889081-0.003588864167491.84530720631-0.01781518873860.5231428231931.205705667390.05338685674911.7631084884-28.387218790363.4660253994-15.8536325261
301.13966597594-0.2808025996032.05436741494.59024058679-1.653128042416.30921790372-0.3886668549431.652014590490.238692082773-1.205184548080.25768466324-0.2237173187910.583515055558-0.617821310002-0.0003640402414411.34544077566-0.05049258109810.1695267207950.7765071571940.05872656394571.01156999565-23.540776273476.3646878982-15.6487055089
311.27979217591-0.591489157040.6685087711290.458497500845-0.03946116993650.821141216318-0.009376241597311.131735431480.5290975529351.26407637918-0.1708436617921.049666704411.09060304450.904035817805-0.0005537268060160.9808499667680.0222170946322-0.01723350504480.7891068635380.1277412569660.800504982876-29.452655230474.62544075914.56458374397
321.62990590404-1.333937158680.8604400536932.415004712981.080491290362.47291311672-0.7976942053320.6697695517620.199982189871-0.6591191589740.254294611947-0.3866542332480.817191299806-1.005961708090.0001809179555810.992055745614-0.0818017033461-0.06527001634440.628381670561-0.01077369188240.975605855612-24.145329987384.591553179-8.15291146387
330.225891782546-0.1923730008180.1304919651080.0664964233988-0.01777946888060.2236443959670.9399125134271.96721242030.132790721646-2.81394717993-0.5410500409560.56094829076-0.1633796165241.621854317750.000404575148151.45901394449-0.04764240913860.475599876631.40313924966-0.007659081389511.72330861991-6.8819224112778.2043201326-15.090102602
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 7 through 24 )
2X-RAY DIFFRACTION2chain 'A' and (resid 25 through 41 )
3X-RAY DIFFRACTION3chain 'A' and (resid 42 through 51 )
4X-RAY DIFFRACTION4chain 'A' and (resid 52 through 69 )
5X-RAY DIFFRACTION5chain 'A' and (resid 70 through 84 )
6X-RAY DIFFRACTION6chain 'E' and (resid 7 through 24 )
7X-RAY DIFFRACTION7chain 'E' and (resid 25 through 41 )
8X-RAY DIFFRACTION8chain 'E' and (resid 42 through 51 )
9X-RAY DIFFRACTION9chain 'E' and (resid 52 through 69 )
10X-RAY DIFFRACTION10chain 'E' and (resid 70 through 87 )
11X-RAY DIFFRACTION11chain 'B' and (resid 8 through 24 )
12X-RAY DIFFRACTION12chain 'B' and (resid 25 through 41 )
13X-RAY DIFFRACTION13chain 'B' and (resid 42 through 51 )
14X-RAY DIFFRACTION14chain 'B' and (resid 52 through 68 )
15X-RAY DIFFRACTION15chain 'B' and (resid 69 through 84 )
16X-RAY DIFFRACTION16chain 'C' and (resid 7 through 24 )
17X-RAY DIFFRACTION17chain 'C' and (resid 25 through 41 )
18X-RAY DIFFRACTION18chain 'C' and (resid 42 through 51 )
19X-RAY DIFFRACTION19chain 'C' and (resid 52 through 69 )
20X-RAY DIFFRACTION20chain 'C' and (resid 70 through 86 )
21X-RAY DIFFRACTION21chain 'D' and (resid 6 through 51 )
22X-RAY DIFFRACTION22chain 'D' and (resid 52 through 84 )
23X-RAY DIFFRACTION23chain 'F' and (resid 7 through 24 )
24X-RAY DIFFRACTION24chain 'F' and (resid 25 through 51 )
25X-RAY DIFFRACTION25chain 'F' and (resid 52 through 69 )
26X-RAY DIFFRACTION26chain 'F' and (resid 70 through 84 )
27X-RAY DIFFRACTION27chain 'G' and (resid 6 through 22 )
28X-RAY DIFFRACTION28chain 'G' and (resid 23 through 67 )
29X-RAY DIFFRACTION29chain 'G' and (resid 68 through 83 )
30X-RAY DIFFRACTION30chain 'H' and (resid 7 through 41 )
31X-RAY DIFFRACTION31chain 'H' and (resid 42 through 51 )
32X-RAY DIFFRACTION32chain 'H' and (resid 52 through 69 )
33X-RAY DIFFRACTION33chain 'H' and (resid 70 through 84 )

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