PDB-8h8p: Crystal structure of thiomorpholine-carboxylate dehydrogenase fro...

ID or keywords:

Entry

Database: PDB / ID: 8h8p

Title

Crystal structure of thiomorpholine-carboxylate dehydrogenase from Candida parapsilosis.

Components

Thiomorpholine-carboxylate dehydrogenase

Keywords

OXIDOREDUCTASE / Imine reduction / Ornithine cyclodeaminase / Mu-crystallin / Ketimine reductase

Function / homology

Ornithine cyclodeaminase/mu-crystallin / Ornithine cyclodeaminase, N-terminal / Ornithine cyclodeaminase/mu-crystallin family / NAD(P)-binding domain superfamily / Ornithine cyclodeaminase

Function and homology information

Biological species

Candida parapsilosis (yeast)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Uma Mahesh, M.V.N. / Abhishek, S. / Faidh, M.A. / Rajakumara, E. / Chadha, A.

Funding support

1items

Citation

Journal: To Be Published
Title: Structure and mechanism of a Ornithine cyclodeaminase/Mu-crystallin homolog purified from Candida parapsilosis ATCC 7330.
Authors: Uma Mahesh, M.V.N. / Abhishek, S. / Faidh, M.A. / Rajakumara, E. / Chadha, A.

History

Deposition	Oct 24, 2022	Deposition site: PDBJ / Processing site: PDBE
Revision 1.0	Oct 25, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8h8p.cif.gz	631.6 KB	Display	PDBx/mmCIF format
PDB format	pdb8h8p.ent.gz	432.3 KB	Display	PDB format
PDBx/mmJSON format	8h8p.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h8/8h8p ftp://data.pdbj.org/pub/pdb/validation_reports/h8/8h8p	HTTPS FTP

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Related structure data

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

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

B: Thiomorpholine-carboxylate dehydrogenase

A: Thiomorpholine-carboxylate dehydrogenase

C: Thiomorpholine-carboxylate dehydrogenase

D: Thiomorpholine-carboxylate dehydrogenase

hetero molecules

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

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	84.755, 92.553, 169.864
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

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	(chain "A" and (resid 0 through 1 or (resid 2...
d_2	ens_1	(chain "B" and ((resid 0 and (name N or name...
d_3	ens_1	(chain "C" and ((resid 0 and (name N or name...
d_4	ens_1	(chain "D" and ((resid 0 and (name N or name...

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Beg label comp-ID	End label comp-ID	Label asym-ID	Label seq-ID
d_1	1	ens_1	HIS	SER	A	2 - 85
d_1	2	ens_1	GLY	THR	A	92 - 306
d_1	3	ens_1	GLU	GLU	A	308
d_1	4	ens_1	SER	PHE	A	310 - 353
d_2	1	ens_1	HIS	SER	B	4 - 87
d_2	2	ens_1	GLY	THR	B	94 - 308
d_2	3	ens_1	GLU	GLU	B	310
d_2	4	ens_1	SER	PHE	B	312 - 355
d_3	1	ens_1	HIS	SER	C	1 - 84
d_3	2	ens_1	GLY	THR	C	91 - 305
d_3	3	ens_1	GLU	GLU	C	307
d_3	4	ens_1	SER	PHE	C	309 - 352
d_4	1	ens_1	HIS	SER	D	1 - 84
d_4	2	ens_1	GLY	THR	D	86 - 300
d_4	3	ens_1	GLU	GLU	D	302
d_4	4	ens_1	SER	PHE	D	304 - 347

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.0477248030135, 0.990874780982, 0.126053606021), (0.995218698437, -0.0579371802043, 0.0786322162469), (0.0852178705392, 0.121698198687, -0.988902150355)	-14.7085863558, 28.8327305884, -121.121941161
2	given	(-0.331359251064, -0.693598521561, 0.639626561067), (-0.800037430144, -0.152808990989, -0.580163358582), (0.500141137183, -0.703967686163, -0.504270105932)	-19.1195772747, -85.1436092114, -83.3795528092
3	given	(-0.685260483672, -0.21259216885, -0.696579241193), (-0.242985107269, -0.834909432332, 0.493846613281), (-0.686568501435, 0.507671950719, 0.52047371047)	-110.641189118, -5.22333562611, -48.4206752826

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Protein , 1 types, 4 molecules BACD

#1: Protein	Thiomorpholine-carboxylate dehydrogenase Mass: 41465.273 Da / Num. of mol.: 4 / Mutation: S199L Source method: isolated from a genetically manipulated source Source: (gene. exp.) Candida parapsilosis (yeast) / Strain: CDC 317 / ATCC MYA-4646 / Gene: CPAR2_804260 / Plasmid: pET28a(+) / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: G8BA04

#1: Protein

Thiomorpholine-carboxylate dehydrogenase

Mass: 41465.273 Da / Num. of mol.: 4 / Mutation: S199L
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Candida parapsilosis (yeast) / Strain: CDC 317 / ATCC MYA-4646 / Gene: CPAR2_804260 / Plasmid: pET28a(+) / Production host:

Escherichia coli BL21(DE3) (bacteria) / References: UniProt: G8BA04

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Non-polymers , 5 types, 83 molecules

#2: Chemical	... ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 22 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#4: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 51 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.01 Å³/Da / Density % sol: 38.75 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 100mM Tris-Cl, 75mM MgCl2, 300mM NaCl, 100mM Sodium pyruvate, 30% PEG 3350, 0.5mM Beta-mercaptoethanol

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: RRCAT INDUS-2 / Beamline: PX-BL21 / Wavelength: 0.97895 Å
Detector	Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 9, 2021
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97895 Å / Relative weight: 1
Reflection	Resolution: 2.5→22.84 Å / Num. obs: 46859 / % possible obs: 99.7 % / Redundancy: 5.4 % / B_iso Wilson estimate: 52.18 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.0898 / Net I/σ(I): 17.02
Reflection shell	Resolution: 2.5→2.589 Å / Redundancy: 5.6 % / R_merge(I) obs: 0.9996 / Mean I/σ(I) obs: 1.69 / Num. unique obs: 4586 / CC_1/2: 0.585 / % possible all: 99.96

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Processing

Software

Name	Version	Classification
XDS		data reduction
MOLREP		phasing
Coot	0.9	model building
PHENIX	1.19.2_4158	refinement
PHENIX	1.19.2_4158	data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: AlphaFold2

Resolution: 2.5→22.84 Å / SU ML: 0.3693 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.9409
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2454	1995	4.27 %	Random selection
R_work	0.2186	85212	-	-
obs	0.2198	46841	99.83 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 57.69 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→22.84 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10260	0	98	51	10409

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0025	10518
X-RAY DIFFRACTION	f_angle_d	0.543	14321
X-RAY DIFFRACTION	f_chiral_restr	0.0452	1742
X-RAY DIFFRACTION	f_plane_restr	0.0036	1843
X-RAY DIFFRACTION	f_dihedral_angle_d	14.7182	3573

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	X-RAY DIFFRACTION	Torsion NCS	0.646061689004
ens_1	d_3	A	X-RAY DIFFRACTION	Torsion NCS	0.620274633074
ens_1	d_4	A	X-RAY DIFFRACTION	Torsion NCS	0.590003297906

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 (%)
2.5-2.53	0.3471	142	0.342	3091	X-RAY DIFFRACTION	99.94
2.53-2.56	0.3413	140	0.332	3226	X-RAY DIFFRACTION	99.88
2.56-2.6	0.332	142	0.326	3125	X-RAY DIFFRACTION	99.91
2.6-2.64	0.3416	143	0.3216	3181	X-RAY DIFFRACTION	100
2.64-2.68	0.3218	142	0.3082	3179	X-RAY DIFFRACTION	99.94
2.68-2.72	0.3488	144	0.3019	3135	X-RAY DIFFRACTION	100
2.72-2.76	0.3402	139	0.3098	3143	X-RAY DIFFRACTION	99.94
2.76-2.81	0.3228	139	0.2922	3199	X-RAY DIFFRACTION	100
2.81-2.86	0.3378	141	0.281	3116	X-RAY DIFFRACTION	100
2.86-2.92	0.3487	144	0.2753	3205	X-RAY DIFFRACTION	100
2.92-2.98	0.2589	142	0.2812	3146	X-RAY DIFFRACTION	100
2.98-3.04	0.2956	139	0.2623	3145	X-RAY DIFFRACTION	99.97
3.04-3.11	0.3025	142	0.257	3163	X-RAY DIFFRACTION	99.97
3.11-3.19	0.3133	141	0.256	3161	X-RAY DIFFRACTION	99.97
3.19-3.27	0.3106	140	0.2526	3151	X-RAY DIFFRACTION	100
3.27-3.37	0.2857	142	0.2439	3143	X-RAY DIFFRACTION	99.97
3.37-3.48	0.2244	146	0.2203	3195	X-RAY DIFFRACTION	100
3.48-3.6	0.2144	137	0.1962	3133	X-RAY DIFFRACTION	99.94
3.6-3.75	0.2275	143	0.1871	3162	X-RAY DIFFRACTION	99.88
3.75-3.92	0.2361	139	0.1896	3188	X-RAY DIFFRACTION	99.88
3.92-4.12	0.2668	134	0.1832	3137	X-RAY DIFFRACTION	99.88
4.12-4.38	0.2116	139	0.1768	3164	X-RAY DIFFRACTION	99.85
4.38-4.71	0.1731	145	0.1682	3168	X-RAY DIFFRACTION	99.58
4.71-5.18	0.2089	140	0.1781	3139	X-RAY DIFFRACTION	99.76
5.18-5.92	0.2429	143	0.2189	3164	X-RAY DIFFRACTION	99.91
5.92-7.42	0.2219	137	0.2256	3160	X-RAY DIFFRACTION	100
7.42-22.84	0.1674	134	0.1742	3093	X-RAY DIFFRACTION	97.46

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	1.79621798293	0.0209219082676	1.30222359969	1.45190000516	-0.0976365231435	1.21470499668	0.101616940891	0.0343210420667	0.250850894181	-0.188576341365	-0.0453155510678	-0.250884291114	0.0286835056313	-0.0802724342067	-0.0168861843622	0.409909673036	-0.0941625863581	-0.0144356811959	0.427822733347	0.02923916597	0.446640838374	-31.1307724875	13.8652848709	-85.4317729213
2	1.02605826822	-0.801423891513	0.532207755832	1.05588067337	0.0599378741405	3.03251626037	0.0227202601478	-0.143772709507	0.187079466085	-0.115166580488	0.0240744620226	0.0262191117116	-0.0156409742868	-0.222292093433	-0.0304728433837	0.431358289805	-0.0805046495297	-0.0169712028147	0.412668140153	-0.0338500454542	0.374828002487	-43.0105173071	11.5342473629	-85.3904821362
3	1.16350000854	-0.788839488377	0.92326465229	0.331054526198	-0.0959061207727	2.34460395858	0.0744184861781	0.310164497192	0.152040204656	-0.114370133403	-0.0724492108827	-0.208152784485	0.320169867627	0.228607562787	-0.000154561437998	0.490093649641	-0.1398198352	0.00174212614253	0.413110149864	0.0258810653083	0.489845546772	-27.338541753	3.96485474728	-81.5633614869
4	1.76399650634	-0.856340338228	-0.0830260714513	2.48273462508	-0.832241589363	2.74098933678	-0.326351351891	-0.439990760736	-0.357375723027	0.473539682303	0.37359996368	0.340487922001	0.0787732597596	-0.356641599759	-0.144459058252	0.417017111405	-0.0184883907585	-0.0248968724102	0.476893639991	0.0667210755218	0.337427858847	-68.6073799279	-23.2513147333	-57.7720278075
5	2.24947219984	-1.94174299923	-1.20335041271	2.51703289822	0.634658473166	1.63337221493	0.157519550548	-0.186763194177	0.194189293373	-0.0607587576267	0.302820615801	-0.265290801177	-0.0364305947363	0.151306559926	-0.451110330196	0.398246881533	-0.020814779077	-0.00727353126351	0.336582991099	-0.0378995835939	0.457370971611	-51.5302973632	-23.1025316253	-66.9357794113
6	0.741306737844	-0.46996231198	0.494270289631	1.24245433944	-0.0780778226747	1.22998950685	-0.0957489488762	0.0140532184494	-0.106930606512	0.0453976220474	0.0571398723751	0.197028213302	-0.00691474656016	-0.106327378178	0.0390135164303	0.302961720773	-0.0621002085884	-0.0246188118628	0.620467535193	0.00596393831952	0.430882848445	-74.341697416	-13.0702856041	-69.1401541617
7	1.10977929091	-0.26586110789	-0.201752403505	3.11865634928	0.187882674335	1.8832621502	-0.0290318068779	-0.110183965245	0.0765762838498	0.0427982755728	0.196402543083	0.0128751210655	-0.268852505063	-0.0523355321992	-0.152517118449	0.308684763594	0.0383745396542	-0.0167942938261	0.481234553397	-0.00816453850311	0.341085144488	-64.3143425648	-5.09378309731	-64.8425412219
8	2.81327951954	-0.855076994489	-0.91780336135	1.48719463056	-0.713298258864	2.53679099825	0.103655262171	0.198724979066	-0.117332322156	-0.371048868621	0.2092907459	0.317042198592	0.587832889542	-0.125491686773	-0.138686824801	0.587290743025	-0.00720868007213	-0.060427995744	0.337067619988	0.033144595887	0.414349211859	-42.0148752209	-45.3347460815	-72.7536019681
9	2.15129161984	-1.50420173226	0.0889927167954	2.81448784092	-0.0836856841101	2.167757313	-0.0313247192745	-0.60122614947	0.211812539368	0.105356510544	0.324731267853	-0.592471270828	0.289241355834	0.186727331054	-0.17323877511	0.42584642061	-0.0223092580638	-0.0407936390756	0.443669898146	-0.113526291604	0.436667094773	-44.6640549337	-29.7793445837	-62.593361377
10	0.8893153093	-1.20900652653	0.333417816699	1.93962581194	0.108087109015	0.814831976923	-0.164333613462	-0.198188940605	-0.203856183273	0.0193346763507	0.175882910098	0.0458990040611	0.382610294482	0.12888634921	0.0251182540327	0.649930935364	0.0314727332299	0.05517245764	0.388714067073	0.0135493188475	0.432899859293	-31.689542855	-54.1020333953	-60.3996610933
11	1.71844138131	-0.170166788635	-0.535928495971	2.21709180161	0.368218647489	1.75763572873	-0.222723133693	-0.203011220409	0.130342459913	0.090315516126	0.0973786808834	-0.299308596232	0.189155276866	0.157052090133	0.0916050319987	0.490117702416	0.0956497518096	-0.0102192890692	0.471203890954	-0.0182591131065	0.421645159952	-21.1462303356	-42.020335808	-57.1291484353
12	1.99495606425	-0.190319267218	0.577898864874	1.0136034401	-0.946146353023	1.36126691052	-0.0718284929495	0.255877774211	0.525971122719	-0.116180332305	-0.189623114642	-0.261442736184	-0.102150018094	0.51966721008	0.0937401062159	0.63751631741	0.0339780555516	0.118980142132	0.506176520448	0.0262039281845	0.452946835518	-18.5506398336	-38.085071405	-66.1731789656
13	2.54651242871	-1.45883143387	0.0256864216914	1.80836707204	-0.263653541544	0.0797998589786	0.387526632199	0.357131654353	-0.0176029858478	0.0323564786165	-0.286618632147	0.196184783274	0.423815585602	0.0103874049783	-0.175087681103	0.545671376427	-0.020241036485	0.0170131312878	0.460213989722	-0.0847932104338	0.369958722357	-43.8600404163	-41.282146	-70.2987763834
14	0.223530949779	0.858354943692	-0.32306241947	3.29210521855	-1.1122553187	0.479108354754	0.0224896427121	0.328578609666	0.17449214318	-0.128812303913	-0.022331886536	0.171448951147	-0.660994196558	0.0933049066935	-0.135541070206	0.520119280008	-0.0641341209976	-0.109759624657	0.671135501247	-0.109971402169	0.68802927763	-13.849771814	8.42895674805	-50.5009635161
15	5.13586040043	0.796156296171	0.651711096246	1.54557363269	-0.241960205916	2.11808344157	-0.38911342744	-0.0503147935219	-0.0941214398221	0.135842619746	0.254408303801	0.024180148281	0.000311426236133	0.813376801857	0.258063475352	0.555660598359	0.101570495342	0.0588249927387	0.54370837047	-0.0888660124127	0.486835164584	-23.142544554	-1.16779740846	-37.0644672874
16	0.984016743948	-0.759600609686	1.4300411871	0.898075410154	-0.857385882896	1.19317142835	-0.13819947207	0.00141923763052	0.214250207018	0.109904474166	-0.0989885296943	0.0146841600851	-0.13721332828	-0.0329719541874	0.20343029642	0.39747131757	0.0086460955771	-0.0176956982868	0.42114219364	-0.048101720119	0.505516833925	-20.9296885907	-7.30979110668	-50.7791700371
17	1.86698782883	-0.766798107284	0.277888292278	2.15066192876	0.157519524557	1.92374572813	-0.0785797883811	0.256276500271	0.0380266048406	0.543576766621	-0.247801006435	-0.396971773055	0.253942575127	0.245386706515	0.27361762587	0.455733531987	0.00364185979766	-0.00963917909919	0.613533813935	-0.0303947008403	0.488384147314	-4.22522120086	-13.784031921	-37.1708196117
18	1.17772922031	-0.144525412918	-0.252463117179	2.57628704237	-0.598774702938	2.31876425795	0.183330807407	0.0529198154704	-0.196714798164	-0.195896437614	-0.237518938899	0.120015546715	0.15026313755	0.18709783845	0.0390610497553	0.409316870096	0.0196450700133	-0.00384958805293	0.397544551888	-0.0483820029362	0.408937109568	-21.1014961546	-23.1358552896	-39.1357918801
19	0.985658734984	-0.103376600442	0.8570541807	2.4804334961	-0.89414687843	1.29608829797	-0.120123375493	-0.0776543487635	0.244039765937	0.259680158594	0.120957792363	0.331982283296	-0.279514006416	-0.114474372142	-0.0299304417955	0.341515855357	0.059651165045	-0.0235446540829	0.4671492823	-0.11943186191	0.519712335135	-22.5675168653	-5.14253596176	-42.3210612148
20	0.804099400167	0.772625332354	0.5898215131	1.6505827216	0.352219437239	3.63314278307	0.0471344780956	0.137568006259	0.166396706251	-0.070119436008	-0.147825823524	-0.225680290633	0.292441171739	0.532501372392	0.0173495461621	0.474670910451	-0.00818783986168	0.0405012545273	0.551288370544	-0.0323626673421	0.649640337597	-20.2286681429	6.77331109793	-80.5519942706
21	2.23954179363	-0.746859775312	0.692931724288	2.34914440481	-0.336173250939	1.23813982111	-0.264279925221	-0.256783717303	0.028189498603	-0.291664599803	0.149365210456	0.226253243457	-0.225611392159	-0.0184672444574	0.103669409971	0.473916559546	0.00545041650219	-0.0958026657014	0.448587130184	-0.00404829573019	0.566949806691	-30.0501985103	0.568344070731	-65.3443616791

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 105 through 175 )	A	A	105 - 175	107 - 177
2	2	chain 'A' and (resid 176 through 302 )	A	A	176 - 302	178 - 304
3	3	chain 'A' and (resid 303 through 351 )	A	A	303 - 351	305 - 353
4	4	chain 'C' and (resid 0 through 39 )	C	C - D	0 - 39	1 - 40
5	5	chain 'C' and (resid 40 through 104 )	C	D	40 - 104	41 - 105
6	6	chain 'C' and (resid 105 through 202 )	C	D	105 - 202	106 - 203
7	7	chain 'C' and (resid 203 through 351 )	C	D	203 - 351	204 - 352
8	8	chain 'D' and (resid 0 through 39 )	D	D	0 - 39	1 - 40
9	9	chain 'D' and (resid 40 through 104 )	D	D	40 - 104	41 - 100
10	10	chain 'D' and (resid 105 through 219 )	D	D	105 - 219	101 - 215
11	11	chain 'D' and (resid 220 through 281 )	D	D	220 - 281	216 - 277
12	12	chain 'D' and (resid 282 through 316 )	D	D	282 - 316	278 - 312
13	13	chain 'D' and (resid 317 through 351 )	D	D	317 - 351	313 - 347
14	14	chain 'B' and (resid -3 through 16 )	B	A	-3 - 16	1 - 20
15	15	chain 'B' and (resid 17 through 37 )	B	A	17 - 37	21 - 41
16	16	chain 'B' and (resid 38 through 148 )	B	A	38 - 148	42 - 152
17	17	chain 'B' and (resid 149 through 206 )	B	A	149 - 206	153 - 210
18	18	chain 'B' and (resid 207 through 302 )	B	A	207 - 302	211 - 306
19	19	chain 'B' and (resid 303 through 351 )	B	A	303 - 351	307 - 355
20	20	chain 'A' and (resid -1 through 39 )	A	A	-1 - 39	1 - 41
21	21	chain 'A' and (resid 40 through 104 )	A	A	40 - 104	42 - 106

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