PDB-9fyd: tubulin - cryptophycin-uD[Dab] complex

ID or keywords:

Entry

Database: PDB / ID: 9fyd

Title

tubulin - cryptophycin-uD[Dab] complex

Components

Stathmin-4
Tubulin alpha-1B chain
Tubulin beta-2B chain
Tubulin tyrosine ligase

Keywords

CELL CYCLE / cytoskeleton / microtubule / tubulin / cryptophycin / microtubule targting agent

Function / homology

Function and homology information

tubulin-tyrosine ligase / positive regulation of axon guidance / microtubule depolymerization / microtubule-based process / regulation of microtubule polymerization or depolymerization / tubulin binding / protein modification process / structural constituent of cytoskeleton / microtubule cytoskeleton organization / microtubule cytoskeleton ...
Similarity search - Function

Biological species

Rattus norvegicus (Norway rat)

Gallus gallus (chicken)

Bos taurus (cattle)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 2.3 Å

Authors

Dessin, C. / Schachtsiek, T. / Voss, J. / Abel, A.-C. / Neumann, B. / Stammler, H.-G. / Prota, A.E. / Sewald, N.

Funding support

European Union,

Switzerland, 4items

Organization	Grant number	Country
European Union (EU)	642004	European Union
European Union (EU)	860070	European Union
Swiss National Science Foundation	310030_192566	Switzerland
European Union (EU)	861316	European Union

Citation

Journal: Angew.Chem.Int.Ed.Engl. / Year: 2024
Title: Highly Cytotoxic Cryptophycin Derivatives with Modification in Unit D for Conjugation.
Authors: Dessin, C. / Schachtsiek, T. / Voss, J. / Abel, A.C. / Neumann, B. / Stammler, H.G. / Prota, A.E. / Sewald, N.

History

Deposition	Jul 3, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 9, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9fyd.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb9fyd.ent.gz		Display	PDB format
PDBx/mmJSON format	9fyd.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9fyd_validation.pdf.gz	2.5 MB	Display	wwPDB validaton report
Full document	9fyd_full_validation.pdf.gz	2.6 MB	Display
Data in XML	9fyd_validation.xml.gz	95 KB	Display
Data in CIF	9fyd_validation.cif.gz	120.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fy/9fyd ftp://data.pdbj.org/pub/pdb/validation_reports/fy/9fyd	HTTPS FTP

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Related structure data

Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#175 - Jul 2014 Microtubules similarity (29) #176 - Aug 2014 Dynein similarity (19) #241 - Jan 2020 Twenty Years of Molecules similarity (19) #118 - Oct 2009 Sodium-Potassium Pump similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #195 - Mar 2016 RAF Protein Kinases similarity (1)

Deposited unit

A: Tubulin alpha-1B chain

B: Tubulin beta-2B chain

C: Tubulin alpha-1B chain

D: Tubulin beta-2B chain

E: Stathmin-4

F: Tubulin tyrosine ligase

hetero molecules

266 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	104.140, 157.670, 179.970
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

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Protein , 4 types, 6 molecules ACBDEF

#1: Protein	Tubulin alpha-1B chain / Alpha-tubulin ubiquitous / Tubulin K-alpha-1 / Tubulin alpha-ubiquitous chain Mass: 50204.445 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P81947
#2: Protein	Tubulin beta-2B chain Mass: 49999.887 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: Q6B856
#3: Protein	Stathmin-4 / Stathmin-like protein B3 / RB3 Mass: 16844.162 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Stmn4 / Production host: Escherichia coli (E. coli) / References: UniProt: P63043
#4: Protein	Tubulin tyrosine ligase Mass: 44378.496 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: TTL / Production host: Escherichia coli (E. coli) / References: UniProt: A0A8V0Z8P0

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Non-polymers , 8 types, 373 molecules

#5: Chemical	ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE Mass: 523.180 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₄P₃ / Comment: GTP, energy-carrying molecule*YM
#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca
#8: Chemical	ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₁P₂ / Comment: GDP, energy-carrying molecule*YM
#9: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#10: Chemical	ChemComp-A1IHR / cryptophycin-uD[Dab] / (3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone Mass: 655.181 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃₄H₄₃ClN₄O₇ / Feature type: SUBJECT OF INVESTIGATION
#11: Chemical	ChemComp-ACP / PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE Mass: 505.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₁H₁₈N₅O₁₂P₃ / Comment: AMP-PCP, energy-carrying molecule analogue*YM
#12: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 356 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	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: 2.82 Å³/Da / Density % sol: 56.44 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 5% PEG 4K, 8% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 0.999999 Å
Detector	Type: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Nov 26, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.999999 Å / Relative weight: 1
Reflection	Resolution: 2.3→49.37 Å / Num. obs: 131347 / % possible obs: 99.35 % / Redundancy: 13.3 % / B_iso Wilson estimate: 54.98 Å² / CC_1/2: 0.999 / CC star: 1 / R_merge(I) obs: 0.1933 / R_pim(I) all: 0.05476 / R_rim(I) all: 0.201 / Net I/σ(I): 11.17
Reflection shell	Resolution: 2.3→2.32 Å / R_merge(I) obs: 4.22 / Mean I/σ(I) obs: 0.56 / Num. unique obs: 12597 / CC_1/2: 0.209 / CC star: 0.588 / R_pim(I) all: 1.2 / R_rim(I) all: 4.39 / % possible all: 94.25

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Processing

Software

Name	Version	Classification
PHENIX	1.20_4459	refinement
XDS		data reduction
XDS		data scaling
Coot		model building
PHENIX	1.20_4459	phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS / Resolution: 2.3→49.37 Å / SU ML: 0.3888 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.1307
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2358	6545	5 %
R_work	0.2003	124461	-
obs	0.2021	131326	99.12 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 70.45 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→49.37 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17267	0	264	356	17887

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0023	17990
X-RAY DIFFRACTION	f_angle_d	0.5123	24405
X-RAY DIFFRACTION	f_chiral_restr	0.0404	2659
X-RAY DIFFRACTION	f_plane_restr	0.0034	3157
X-RAY DIFFRACTION	f_dihedral_angle_d	12.3325	6655

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.3-2.32	0.4156	163	0.4017	3184	X-RAY DIFFRACTION	76.61
2.32-2.35	0.3975	217	0.3645	4117	X-RAY DIFFRACTION	99.27
2.35-2.38	0.3845	215	0.3491	4089	X-RAY DIFFRACTION	99.54
2.38-2.41	0.3674	218	0.3296	4129	X-RAY DIFFRACTION	99.91
2.41-2.44	0.3602	219	0.3247	4169	X-RAY DIFFRACTION	99.77
2.44-2.48	0.3316	217	0.31	4127	X-RAY DIFFRACTION	99.89
2.48-2.51	0.3629	218	0.3154	4133	X-RAY DIFFRACTION	99.84
2.51-2.55	0.3386	218	0.3027	4145	X-RAY DIFFRACTION	99.93
2.55-2.59	0.3074	219	0.2786	4152	X-RAY DIFFRACTION	99.95
2.59-2.63	0.3086	218	0.279	4157	X-RAY DIFFRACTION	99.91
2.63-2.68	0.3367	218	0.2839	4146	X-RAY DIFFRACTION	99.75
2.68-2.72	0.3207	218	0.2706	4126	X-RAY DIFFRACTION	99.98
2.72-2.78	0.3106	220	0.2674	4186	X-RAY DIFFRACTION	99.89
2.78-2.83	0.327	218	0.2609	4133	X-RAY DIFFRACTION	99.98
2.83-2.9	0.3017	218	0.2652	4156	X-RAY DIFFRACTION	99.98
2.9-2.96	0.3095	219	0.2465	4163	X-RAY DIFFRACTION	99.98
2.96-3.04	0.2526	219	0.2244	4156	X-RAY DIFFRACTION	99.93
3.04-3.12	0.2665	218	0.2184	4147	X-RAY DIFFRACTION	100
3.12-3.21	0.2476	221	0.2136	4190	X-RAY DIFFRACTION	99.95
3.21-3.31	0.2528	220	0.2166	4184	X-RAY DIFFRACTION	99.93
3.31-3.43	0.2499	220	0.2043	4186	X-RAY DIFFRACTION	100
3.43-3.57	0.2423	221	0.2001	4196	X-RAY DIFFRACTION	99.98
3.57-3.73	0.2386	220	0.1832	4178	X-RAY DIFFRACTION	100
3.73-3.93	0.209	221	0.1669	4206	X-RAY DIFFRACTION	99.95
3.93-4.18	0.1813	222	0.1629	4214	X-RAY DIFFRACTION	100
4.18-4.5	0.1771	223	0.1476	4227	X-RAY DIFFRACTION	99.91
4.5-4.95	0.1709	223	0.1392	4236	X-RAY DIFFRACTION	99.98
4.95-5.66	0.2087	223	0.1688	4250	X-RAY DIFFRACTION	99.98
5.67-7.13	0.2357	227	0.1902	4296	X-RAY DIFFRACTION	99.98
7.13-49.37	0.1926	235	0.1714	4483	X-RAY DIFFRACTION	99.83

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	1.05320822599	-0.519390078039	-0.273599691334	1.13040210545	-0.447618726911	0.696879053733	-0.061068434196	0.138723970893	0.326313659236	-0.485914073943	0.103822967983	-0.123658437597	-0.736010722904	0.0692532209436	7.90474445086E-5	0.931995605816	-0.109795466743	0.124953357588	0.58544506382	-0.116735258719	0.673305547626	28.0161902137	96.1746267469	52.405989988
2	0.56567360521	0.299462505958	0.631697936452	0.653628691687	0.711974010741	1.36439936834	-0.0839993549036	0.291447929254	0.140750021047	-0.78052020946	0.280402243583	-0.576686366782	-0.698995944263	0.372512462937	2.24068492583E-5	0.848279458192	-0.124124169539	0.212328744597	0.654573744867	-0.144888492868	0.788224415855	34.7917467039	83.4979969039	45.3902273456
3	0.611763294821	-0.716618074535	-0.645163770241	1.70366603733	0.174340675445	1.92397223947	0.142844689341	-0.0614746826891	0.0073038139184	0.204092035473	0.118836170993	-0.288611089394	0.000417314804811	0.390443022252	7.67809467119E-5	0.552182316796	-0.0297580251743	0.0300338421157	0.590405729758	-0.174582645979	0.615596643824	32.9285164691	77.6438671153	57.8024231456
4	0.282694805639	-0.336378291438	-0.332743569177	0.834713644584	0.0512808161298	0.583612860816	0.2525446252	-0.209357639008	-0.332378595256	0.0972321820721	-0.0872768214615	0.485115508652	0.2215370828	-0.575657774784	4.48499765108E-5	0.586521481522	0.0140489587004	0.0505078129833	0.685675500296	-0.138179073715	0.736730168742	11.6066563429	78.9104192383	59.9760911912
5	1.11346371996	0.757941302982	-0.0745389667737	2.53673100906	0.585896959407	2.47906469495	0.20341382822	-0.0886476289942	0.195774443255	0.34157466704	-0.0905322707875	0.306166893059	-0.344743642935	-0.0412206275904	-5.51106152944E-5	0.703735181232	-0.00590141509045	0.0973290402471	0.558436231981	-0.146676130751	0.634202418077	18.5845727903	86.663426365	68.3660237432
6	0.530043183262	0.0435021501383	0.34063118749	0.287790545943	0.151824144775	0.237502303274	-0.0343381847716	-0.44884546682	0.098289572031	0.975697372616	0.142483893263	0.520690279197	-0.119303221417	-0.215946719725	3.4479966011E-5	0.957275720985	0.0129735911266	0.201384651096	0.666848623147	-0.09888167264	0.651412689847	16.8599932052	87.2528327437	80.5681257488
7	1.87051619519	0.959651335865	-0.377157960829	1.62429981447	0.48292794951	0.604622051435	0.171074861507	0.0578704298998	-0.142272304756	0.606937263582	-0.108251881753	0.454928544419	-0.045501919669	0.0213596974754	2.10088685208E-5	0.911222838616	0.0595684930861	0.147070882595	0.554920955674	-0.154642703122	0.662362885235	17.7705414118	88.9199383612	73.5922328491
8	0.130184732763	-0.110065546018	0.263154740467	0.512865250778	-0.112504099091	0.407955069938	0.123766718123	-0.155661559807	0.118255121473	0.354635862827	0.34146048844	-0.126980519277	0.581201157638	0.329637540113	-0.000158628254978	0.642791274298	0.034611060494	-0.00394623147121	0.614021784101	-0.168280158965	0.617715185197	27.5272583528	61.0583685624	57.6204297373
9	0.334540675236	0.243997447515	0.0285498807468	0.351801527456	-0.149557423426	0.108292052995	0.0726140014118	-0.0107889768553	-0.173767692877	0.770530854506	0.12649632507	-0.281605681208	0.755954070794	0.836067334956	0.000239291690721	0.895633032084	0.206946090102	-0.0921764170645	0.738587934612	-0.191932861839	0.761747861653	32.8029293515	63.4707225734	68.3234915496
10	0.487021002605	-0.210844632178	-0.355817142485	0.600475512971	-0.453151717024	0.808809289922	-0.0202032989108	0.248335800537	0.36716827126	-0.180936820897	0.0185319074411	0.501017280874	-0.588225527849	-0.215642240742	-0.000138763516545	0.53639284621	0.0816581430535	0.00843983262476	0.564191117112	-0.0402285505108	0.663915161535	16.1361909116	64.9201751204	22.335560997
11	0.274264944921	-0.0558762307195	0.0988262657406	0.111011563833	0.0295225647939	0.136854484664	-0.00146260270939	0.394891562491	1.28893839695	-0.333490083099	-0.288156236384	0.156684519	-0.670592593579	-0.049834921725	-6.72361055005E-5	1.01727566717	0.146980625941	-0.0287711733553	0.678858312947	-0.0614410176684	0.983300022791	14.8854127663	78.8939698336	22.8485987562
12	0.0461449588095	-0.0687005908144	-0.00861455769402	0.0530189981778	0.0594941185036	0.00684570358256	0.166941111864	0.465099672135	0.176612976973	-1.02795924157	-0.00145310029732	0.203948369281	-0.609824161643	-0.201692763176	-0.000207165506449	0.662221502335	0.0835886699011	-0.00683204218863	0.775070139912	-0.0380271723818	0.601681457342	17.3559312946	62.8078926689	12.107333238
13	0.347613810609	0.0239298997411	-0.223782071485	0.181968808595	0.198670461109	0.403717259217	0.104988137557	0.530553108243	0.283145032988	-0.424172028337	-0.0646206977223	0.0967875388766	-0.412124817787	0.228116425728	-0.000151584475516	0.656993873756	-0.0138954748675	0.0435710555248	0.727834765033	-0.0239550164217	0.626489305346	28.1572460467	56.4516612268	14.0924363694
14	0.841243744952	-0.981270354896	-0.325592160164	1.94724682299	0.488697941414	2.60958453077	0.0477243712206	-0.0975262281617	0.00918437097301	0.208834925279	-0.0456838845588	-0.122358450873	-0.0859666704423	0.0253451011607	-7.87592052355E-7	0.385485338671	0.0211664784796	0.04652874861	0.517906268056	-0.100681062286	0.507389501889	22.2718233075	53.1918438612	26.8228479993
15	0.918606713177	-0.653291650752	-0.475345145211	0.645873515803	-0.226404117293	1.75443622435	0.143899502305	-0.254956913628	0.169709425184	0.130433083656	-0.359458108338	0.374981752114	-0.222585124882	-0.85583591623	8.91516736868E-5	0.474204121303	0.0118225091227	0.0744918059248	0.655565383056	-0.135700978444	0.669101908348	9.22649574511	60.7446492911	30.6846944793
16	0.543215206302	0.377878468019	-0.732535814561	1.10641679684	-0.365640837151	1.08551685115	0.110412655322	-0.0778166242158	0.102630007879	-0.187421275559	-0.0831601535093	0.300458391333	-0.0353554092191	-0.638135197431	0.000122954090581	0.633612575262	0.0342832069696	0.0143058207267	0.751254371794	-0.266457827423	0.653234015052	6.2107375774	58.862151711	38.0342381336
17	0.740005081157	-0.172483805791	0.161714209931	0.188128343526	0.0154997830002	0.250380482996	-0.249960424157	-0.15068742365	0.0108871016103	0.319749671911	-0.130720764244	0.568958374592	-0.0143066851132	-0.799341661109	4.39765121967E-5	0.729501624145	0.0972422273667	0.117212428959	0.944837300618	-0.22612125708	0.806865729064	5.14046735968	59.4147400845	44.245330112
18	0.97614040233	0.315616203707	0.234792896645	0.722134286608	0.563942442618	0.68362547147	-0.0413565997115	-0.160131433607	0.0150426826974	0.220324552133	-0.114862041457	0.380889112308	0.0648152988899	-0.470490690611	8.65214020641E-5	0.620492342394	-0.0648147433491	0.125419947499	0.706275031823	-0.134482025736	0.652536397205	10.0254994391	57.1532827926	42.7834403462
19	0.329375929024	0.301494542695	0.278089885466	0.557049436752	0.119996492323	0.35309325546	0.138285368259	-0.461123777941	-0.446417383396	0.687509116147	-0.114094202024	-0.303254808768	0.642544369892	0.6621465928	0.00039476300237	0.596205586427	-0.0362331369054	-0.00833090356682	0.655862109451	-0.0752811127008	0.566175967042	25.3881678916	34.3978600597	25.5050794746
20	1.39470961424	-0.0489723047133	-0.0793054652662	1.89429688466	0.195838855746	1.61046560166	-0.0759768737077	0.148561946061	0.074949588129	-0.189487273758	0.094698803305	-0.00621712037761	-0.176575214648	0.106177587455	-7.87213147064E-6	0.411418709293	-0.0345671749707	0.0202953606862	0.499386061979	-0.0456475611115	0.478976218514	18.1694783444	31.6379667982	-11.310598037
21	1.23231487392	-0.480394915681	-0.084602360553	1.7329408068	1.15142033728	1.96480944507	-0.0155741151185	-0.0823442371621	0.0362474876291	0.204451212136	-0.0697146506428	0.0574515456765	0.111914338234	-0.208454519268	-5.44638149153E-5	0.382437008863	-0.0715155503078	0.0458979492833	0.452934216065	-0.0390476463628	0.470145014089	8.43548759776	26.3533384027	4.17633851301
22	1.79881883718	0.4113283832	0.671212316627	0.765873900468	-0.334105948987	0.76057969273	-0.153528013931	0.583594060832	0.159760675102	-0.531686367136	0.107009784896	-0.0031457996913	-0.188466865624	-0.173262104128	-6.33098352774E-5	0.856401917812	-0.061126441861	0.0530687977604	0.986525116164	-0.123051185254	0.609456638627	17.121100211	9.77668437558	-43.898966329
23	1.79944443644	-0.0642126389647	-0.4639538254	1.69491943649	-0.149945838639	2.05052345061	-0.0938524031216	0.541431595859	-0.247408824322	-0.486696483017	0.140837309565	-0.169334313436	0.262562284814	0.168301286802	9.24740816171E-5	0.710150915961	0.00339405294988	0.0547810003907	0.78166205942	-0.256422454003	0.632910203074	23.2713889813	-2.13509091082	-34.9139503167
24	1.36151079429	-0.497153036927	-0.17590188401	1.66559098751	0.274150398809	1.72518198704	-0.0669179180236	0.307094211744	-0.416322067186	-0.0453775840064	0.00895993169059	0.0779375404797	0.368356825554	-0.0915735138291	6.45504757696E-5	0.715988560636	-0.0355708509966	0.030698423444	0.674316755802	-0.206155582153	0.684374296602	13.0020438094	-6.74472601456	-24.1822294118
25	0.581785209435	0.185926110056	0.155482315803	0.165898117979	0.235060602382	0.14290414533	-0.137006470167	-0.223518018589	0.18978806961	0.546352358853	0.13194104476	-0.669201626662	-0.0648009216886	0.857855484058	0.000704224388788	1.31655055712	-0.0772219442565	-0.0319762904141	0.793349903571	-0.169516424686	0.904520300881	27.3378594311	93.6208089144	81.2365492351
26	0.18689050612	-0.314312502932	-0.561459151725	0.187619152664	0.134919023347	0.615104600019	-0.131350863623	-0.000719814343552	-0.133646013542	0.473548143405	0.522181249503	-0.340398770645	0.652976022263	0.845098082674	-7.18111284706E-5	0.587472101036	0.115670407942	0.0272199707664	0.921278228546	-0.272837118581	0.860716073298	43.0278890942	28.2944289573	4.15357465382
27	0.366314903265	-0.0888419577753	-0.436437778698	0.343236630719	0.0872492163676	0.555778046976	-0.245944435531	0.640763586297	-0.481696372715	-0.125577593456	-0.00730702382993	-0.104276957525	0.906932395768	-0.370259006087	5.68495744466E-5	1.15037506561	-0.175462901851	0.193824582501	0.813206461731	-0.174023369984	0.978530613528	6.3130940838	54.3823680535	70.0449610604
28	0.253085409185	0.0990719799442	0.131742053707	0.0825328497775	-0.0195578944401	0.114900852942	0.117027270483	-0.0250354386464	0.199997154433	0.243612236637	-0.266009013919	-0.35772242655	-0.0417600955853	0.34241842563	-0.000150885690769	0.920115940145	-0.0254963472242	0.0084669472379	0.918852256075	0.0100555582242	0.799414281561	10.9511298933	65.9035671217	97.4348544559
29	0.0169456971611	0.034193664123	-0.056672981654	0.0611062303	-0.0281742623165	0.00111370554516	0.147982136625	-0.662659534016	-0.0614337595134	0.790239889374	-0.474471963613	-0.800471698007	0.284411458221	1.27449019044	-1.41479317049E-5	1.14000178789	0.0893102161976	-0.22710824005	1.59378649935	0.308599882693	1.18297917506	20.2463175912	57.0380174454	108.68691685
30	1.03662912456	0.0042391648437	-0.838067430018	0.539373752776	0.500765458145	0.745826074203	-0.468110758121	0.00812874925741	-0.607065237044	0.145147850643	-0.0722417869657	-0.364894112004	0.7050159353	-0.109633920222	0.000363785200682	1.06735947981	-0.0590388583645	0.171127439197	0.679540627646	0.167961247701	0.983250801405	-2.01381719074	53.1891554869	97.1087066829
31	0.073014930023	0.0612286937884	0.0275423996969	-0.0127379347192	-0.00730141058379	0.0177910739765	-0.211580143978	0.205019283515	-0.950551292867	-0.254042391396	0.430814826563	-0.303206110224	0.756977268464	0.502545060676	-2.33313492951E-5	1.71366649771	0.0885680641071	0.207363769443	0.863507459863	0.192054373407	1.35626040864	4.94114101625	39.3972322134	104.589052987
32	1.49300597035	-0.211772273477	-1.42242400909	0.171776524989	0.346422603018	1.08077773842	-0.31858798321	0.138617655624	-0.55084551454	0.0354959056262	0.276769670365	0.0457353418957	0.522238734864	-0.160781462228	-0.000168845746744	1.06646518997	-0.0846505840222	0.117042796653	0.684306267407	0.0436951816425	0.843089494399	-2.80083618706	56.723767964	93.2524060267
33	0.79147569472	-0.0355259374895	-0.559280934979	0.671011625353	0.343052224766	0.58411052837	-0.19682792998	0.274877500843	-0.00482758688474	0.69829368899	0.194887709821	0.108442212912	0.202216474763	-0.118326154159	0.000125216683478	0.896212590616	-0.0256865468035	0.0653567348436	0.968690684966	-0.0331609860115	0.942440878838	-4.33407940394	60.5874123573	83.7262346988

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 79 )	A	A	1 - 79	1 - 79
2	2	chain 'A' and (resid 80 through 127 )	A	A	80 - 127	80 - 127
3	3	chain 'A' and (resid 128 through 199 )	A	A	128 - 199	128 - 199
4	4	chain 'A' and (resid 200 through 223 )	A	A	200 - 223	200 - 223
5	5	chain 'A' and (resid 224 through 306 )	A	A	224 - 306	224 - 306
6	6	chain 'A' and (resid 307 through 338 )	A	A	307 - 338	307 - 338
7	7	chain 'A' and (resid 339 through 381 )	A	A	339 - 381	339 - 381
8	8	chain 'A' and (resid 382 through 414 )	A	A	382 - 414	382 - 414
9	9	chain 'A' and (resid 415 through 437 )	A	A	415 - 437	415 - 437
10	10	chain 'B' and (resid 1 through 27 )	B	B	1 - 27	1 - 27
11	11	chain 'B' and (resid 28 through 62 )	B	B	28 - 62	28 - 62
12	12	chain 'B' and (resid 63 through 86 )	B	B	63 - 86	61 - 84
13	13	chain 'B' and (resid 87 through 125 )	B	B	87 - 125	85 - 123
14	14	chain 'B' and (resid 126 through 212 )	B	B	126 - 212	124 - 210
15	15	chain 'B' and (resid 213 through 257 )	B	B	213 - 257	211 - 255
16	16	chain 'B' and (resid 258 through 293 )	B	B	258 - 293	256 - 288
17	17	chain 'B' and (resid 294 through 336 )	B	B	294 - 336	289 - 331
18	18	chain 'B' and (resid 337 through 391 )	B	B	337 - 391	332 - 378
19	19	chain 'B' and (resid 392 through 428 )	B	B	392 - 428	379 - 415
20	20	chain 'C' and (resid 1 through 223 )	C	C	1 - 223	1 - 223
21	21	chain 'C' and (resid 224 through 440 )	C	C	224 - 440	224 - 440
22	22	chain 'D' and (resid 1 through 86 )	D	D	1 - 86	1 - 86
23	23	chain 'D' and (resid 87 through 266 )	D	D	87 - 266	87 - 264
24	24	chain 'D' and (resid 267 through 431 )	D	D	267 - 431	267 - 431
25	25	chain 'E' and (resid 6 through 46 )	E	E	6 - 46	6 - 46
26	26	chain 'E' and (resid 47 through 142 )	E	E	47 - 142	47 - 142
27	27	chain 'F' and (resid 1 through 66 )	F	F	1 - 66	1 - 66
28	28	chain 'F' and (resid 67 through 96 )	F	F	67 - 96	67 - 96
29	29	chain 'F' and (resid 97 through 184 )	F	F	97 - 184	97 - 184
30	30	chain 'F' and (resid 185 through 223 )	F	F	185 - 223	185 - 223
31	31	chain 'F' and (resid 224 through 257 )	F	F	224 - 257	224 - 257
32	32	chain 'F' and (resid 258 through 353 )	F	F	258 - 353	258 - 353
33	33	chain 'F' and (resid 354 through 382 )	F	F	354 - 382	354 - 382

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