PDB-9t6s: Crystal Structure of the Listeria monocytogenes CadC with Cadmium

ID or keywords:

Entry

Database: PDB / ID: 9t6s

Title

Crystal Structure of the Listeria monocytogenes CadC with Cadmium

Components

Lmo1102 protein

Keywords

DNA BINDING PROTEIN / Metal-responsive transcriptional repressor

Function / homology

Function and homology information

DNA-binding transcription factor activity / regulation of DNA-templated transcription / DNA binding
Similarity search - Function

Biological species

Listeria monocytogenes EGD-e (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Lisboa, J. / Morais-Cabral, J.H. / Cabanes, D.

Funding support

Portugal, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of the Listeria monocytogenes CadC with Cadmium
Authors: Lisboa, J. / Morais-Cabral, J.H. / Cabanes, D.

History

Deposition	Nov 7, 2025	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	May 6, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9t6s.cif.gz	233 KB	Display	PDBx/mmCIF format
PDB format	pdb9t6s.ent.gz	155.1 KB	Display	PDB format
PDBx/mmJSON format	9t6s.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/t6/9t6s ftp://data.pdbj.org/pub/pdb/validation_reports/t6/9t6s	HTTPS FTP

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Related structure data

Related structure data	9t6r
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Experimental dataset #1	Data reference: 10.15785/SBGRID/1260 / Data set type: diffraction image data / Db source: SBGrid Data Bank

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Lmo1102 protein

B: Lmo1102 protein

C: Lmo1102 protein

D: Lmo1102 protein

hetero molecules

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

1

A: Lmo1102 protein

C: Lmo1102 protein

hetero molecules

defined by author
Evidence: gel filtration, Dimer, isothermal titration calorimetry, Cd interaction
27.6 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Lmo1102 protein

D: Lmo1102 protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	63.004, 64.574, 102.705
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 (eV)
d_1	ens_1	(chain "A" and (resid 3 through 20 or resid 22...
d_2	ens_1	(chain "B" and (resid 3 through 20 or resid 22...
d_3	ens_1	(chain "C" and (resid 3 through 20 or resid 22...
d_4	ens_1	(chain "D" and (resid 3 through 20 or resid 22...

NCS domain segments:

Ens-ID: ens_1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	ASP	ASP	THR	THR	A	A	3 - 20	4 - 21
d_1	2	LEU	LEU	GLU	GLU	A	A	22 - 23	23 - 24
d_1	3	ILE	ILE	GLU	GLU	A	A	27 - 52	28 - 53
d_1	4	GLU	GLU	ILE	ILE	A	A	54 - 60	55 - 61
d_1	5	ILE	ILE	LEU	LEU	A	A	62 - 78	63 - 79
d_1	6	ALA	ALA	TYR	TYR	A	A	81 - 95	82 - 96
d_1	7	LEU	LEU	THR	THR	A	A	97 - 104	98 - 105
d_1	8	ILE	ILE	ASP	ASP	A	A	106 - 108	107 - 109
d_2	1	ASP	ASP	THR	THR	B	B	3 - 20	4 - 21
d_2	2	LEU	LEU	GLU	GLU	B	B	22 - 23	23 - 24
d_2	3	ILE	ILE	GLU	GLU	B	B	27 - 52	28 - 53
d_2	4	GLU	GLU	ILE	ILE	B	B	54 - 60	55 - 61
d_2	5	ILE	ILE	LEU	LEU	B	B	62 - 78	63 - 79
d_2	6	ALA	ALA	TYR	TYR	B	B	81 - 95	82 - 96
d_2	7	LEU	LEU	THR	THR	B	B	97 - 104	98 - 105
d_2	8	ILE	ILE	ASP	ASP	B	B	106 - 108	107 - 109
d_3	1	ASP	ASP	THR	THR	C	C	3 - 20	4 - 21
d_3	2	LEU	LEU	GLU	GLU	C	C	22 - 23	23 - 24
d_3	3	ILE	ILE	GLU	GLU	C	C	27 - 52	28 - 53
d_3	4	GLU	GLU	ILE	ILE	C	C	54 - 60	55 - 61
d_3	5	ILE	ILE	LEU	LEU	C	C	62 - 78	63 - 79
d_3	6	ALA	ALA	TYR	TYR	C	C	81 - 95	82 - 96
d_3	7	LEU	LEU	THR	THR	C	C	97 - 104	98 - 105
d_3	8	ILE	ILE	ASP	ASP	C	C	106 - 108	107 - 109
d_4	1	ASP	ASP	THR	THR	D	D	3 - 20	4 - 21
d_4	2	LEU	LEU	GLU	GLU	D	D	22 - 23	23 - 24
d_4	3	ILE	ILE	GLU	GLU	D	D	27 - 52	28 - 53
d_4	4	GLU	GLU	ILE	ILE	D	D	54 - 60	55 - 61
d_4	5	ILE	ILE	LEU	LEU	D	D	62 - 78	63 - 79
d_4	6	ALA	ALA	TYR	TYR	D	D	81 - 95	82 - 96
d_4	7	LEU	LEU	THR	THR	D	D	97 - 104	98 - 105
d_4	8	ILE	ILE	ASP	ASP	D	D	106 - 108	107 - 109

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.999930013871, 0.0117398528973, 0.0014639718024), (-0.0117800788832, 0.999436421009, 0.0314335823864), (-0.0010941211054, -0.0314486281749, 0.999504770716)	0.0506834912701, 31.1224982628, 1.92880237761
2	given	(0.701124071082, -0.113250449981, 0.703988190617), (-0.115322017626, -0.99231823291, -0.0447812113014), (0.703651809633, -0.0497881533512, -0.708798469655)	-12.556601309, -74.0217080181, 18.1238763641
3	given	(0.708050430703, -0.112162204784, 0.697197409203), (-0.0901420653848, -0.993584286783, -0.0682984121798), (0.700384891063, -0.0144880942862, -0.713618314994)	-12.5866699719, -42.2132499587, 22.6156447106

#1: Protein	Lmo1102 protein Mass: 13665.920 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes EGD-e (bacteria) Gene: lmo1102 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q8Y817
#2: Chemical	ChemComp-CD / CADMIUM ION Mass: 112.411 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cd / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 189 / Source method: isolated from a natural source / Formula: H₂O
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: 1.92 Å³/Da / Density % sol: 35.9 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.1 M Hepes pH7.5, 10 % 2-Propanol, 20 % PEG 4K, 15 % glycerol

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.8856 Å
Detector	Type: DECTRIS EIGER2 X 9M / Detector: PIXEL / Date: Sep 22, 2024
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8856 Å / Relative weight: 1
Reflection	Resolution: 2→40.19 Å / Num. obs: 54092 / % possible obs: 98.87 % / Redundancy: 3 % / B_iso Wilson estimate: 34.85 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.1043 / R_pim(I) all: 0.07059 / R_rim(I) all: 0.1266 / Net I/σ(I): 5.81
Reflection shell	Resolution: 2→2.07 Å / Redundancy: 2.9 % / R_merge(I) obs: 1.727 / Mean I/σ(I) obs: 0.64 / Num. unique obs: 5376 / CC_1/2: 0.373 / R_pim(I) all: 1.196 / R_rim(I) all: 2.115 / % possible all: 98.17

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419	refinement
XDS		data reduction
Aimless		data scaling
PHENIX	1.21.2_5419	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2→40.19 Å / SU ML: 0.2797 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.9485
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2415	2669	4.96 %
R_work	0.2043	51114	-
obs	0.2063	53783	97.91 %

Solvent computation

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

Displacement parameters

B_iso mean: 44.86 Å²

Refinement step

Cycle: LAST / Resolution: 2→40.19 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3473	0	4	189	3666

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0016	3527
X-RAY DIFFRACTION	f_angle_d	0.4146	4760
X-RAY DIFFRACTION	f_chiral_restr	0.0353	621
X-RAY DIFFRACTION	f_plane_restr	0.002	570
X-RAY DIFFRACTION	f_dihedral_angle_d	11.8241	1344

Refine LS restraints NCS

Ens-ID	Dom-ID	Asym-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	A	X-RAY DIFFRACTION	Torsion NCS	0.813902262878
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	1.1463272835
ens_1	d_4	A	A	X-RAY DIFFRACTION	Torsion NCS	0.919776369993

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 (%)
2-2.03	0.3642	129	0.3573	2563	X-RAY DIFFRACTION	92.35
2.03-2.07	0.3652	141	0.333	2659	X-RAY DIFFRACTION	97.83
2.07-2.11	0.3383	121	0.3201	2717	X-RAY DIFFRACTION	98.54
2.11-2.16	0.3413	123	0.2911	2772	X-RAY DIFFRACTION	99.25
2.16-2.21	0.3894	130	0.2894	2727	X-RAY DIFFRACTION	99.27
2.21-2.27	0.3081	159	0.274	2713	X-RAY DIFFRACTION	99.31
2.27-2.33	0.311	122	0.2719	2769	X-RAY DIFFRACTION	99.31
2.33-2.4	0.3335	143	0.2547	2721	X-RAY DIFFRACTION	99.31
2.4-2.47	0.2728	153	0.2463	2703	X-RAY DIFFRACTION	98.99
2.47-2.56	0.2741	152	0.2331	2718	X-RAY DIFFRACTION	99
2.56-2.66	0.2308	128	0.2277	2680	X-RAY DIFFRACTION	97.91
2.66-2.79	0.2523	174	0.2247	2661	X-RAY DIFFRACTION	98.03
2.79-2.93	0.2522	138	0.2067	2663	X-RAY DIFFRACTION	96.75
2.93-3.12	0.209	112	0.2127	2752	X-RAY DIFFRACTION	98.22
3.12-3.36	0.2208	134	0.1942	2682	X-RAY DIFFRACTION	98.15
3.36-3.69	0.2474	151	0.1727	2679	X-RAY DIFFRACTION	97.96
3.69-4.23	0.239	145	0.1584	2666	X-RAY DIFFRACTION	97.64
4.23-5.33	0.1855	156	0.1515	2662	X-RAY DIFFRACTION	96.74
5.33-40.19	0.1857	158	0.1706	2607	X-RAY DIFFRACTION	96.01

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	4.37472888735	1.96592061277	-1.6449253333	4.77657862491	-0.397755507915	6.19093732363	-0.069310874407	-0.909173590213	0.0937354361936	0.654067219432	0.09805392808	-0.09772950234	-0.216585480007	0.0763301070762	0.0964223472265	0.263161190035	0.132758370779	-0.0308139491492	0.512660433044	-0.0624321008926	0.399858586039	-15.8850630834	-40.9951306442	32.2696664042
2	5.29255964736	-1.66958674674	-0.18287900713	4.60664093431	-3.30500473817	2.76601911238	-0.21879537298	-0.55508712737	1.43816977837	0.935609715058	0.484648659709	-1.29537239408	-2.17550199031	1.64541942583	0.396244736996	0.797384670687	-0.195798593243	-0.143908457426	0.455846267738	-0.1644201676	0.733041800836	-8.64264783023	-26.8343389973	22.9226280697
3	1.79299322237	0.811048799993	-1.47102532643	1.5133811449	-1.3308216577	5.7616995442	0.19615430131	-0.00654305181766	0.108610176952	0.0676115220239	0.00394006219466	0.0584222624339	-0.365398052495	-0.148806540891	-0.243347349952	0.339767121575	0.0272939803118	-0.00304459426306	0.311031201244	-0.000202745013228	0.31261467878	-4.9703609177	-32.8444506082	1.1195396049
4	0.938651037001	0.289158296118	-1.15410557057	1.26763414031	-1.68187894483	5.02215566699	0.10951248353	0.206809110647	0.248416476268	0.0875353252454	0.228460168218	0.00928500291977	-0.617834702989	-0.263689481348	-0.247900750623	0.397359263249	0.0274949062432	0.0254796364425	0.314498778472	0.0150088984066	0.309382846775	-4.19906695877	-27.700030242	-8.39982985193
5	7.18649797685	-1.39107594439	0.484565425175	2.17549040655	1.26834520437	6.70257951421	-0.687549381655	-0.147272885712	-0.00695378191907	0.112085351607	1.08891888929	-0.182019772561	-0.527453544261	0.406521060464	-0.358135127029	0.439610749199	-0.0208278120452	-0.00439738793947	0.480856128813	-0.0216268900357	0.400935458781	1.93779269565	-36.6361521489	7.09270207781
6	3.61540429961	2.03019102289	-0.972926076474	4.02665120637	-0.999290264733	5.2948630881	-0.00919831637763	-0.356375467166	0.125958802011	0.247419881775	0.178277594831	0.0615059101246	0.0153272027623	-0.0457874102055	-0.168876823801	0.418028878968	0.0926713504512	-0.0819307763998	0.427928158709	-0.0232639859262	0.434342801458	-15.6673114201	-7.12337222174	34.9385556213
7	2.89407329386	0.33956673761	-1.81451985864	1.39807940816	-1.35059136963	4.04691688944	0.0423179692321	0.0197754080685	-0.0581862942967	-0.00651244269819	0.0395447837794	-0.0718004000497	0.163821429766	0.251312775836	-0.0893684362835	0.369533258821	0.0186920559036	-0.0103957678353	0.312385233887	-0.028807470913	0.289162844434	-5.78587737309	-1.20085019456	5.86267426957
8	3.04387328404	2.00370816386	-0.142637968084	4.84808446064	-0.197084961104	2.95897845819	-0.0577620098149	0.226889623275	0.184040066468	-0.238335699529	0.259327117973	0.548598174188	0.389063004965	-0.191846885546	-0.284961154187	0.422115235686	0.0727088037195	0.00364941654361	0.314049025568	0.0138791955447	0.287068183074	-3.52110410901	-3.9298675989	-10.2959632833
9	1.09138510348	-0.637020894351	-0.17687506473	2.40834250046	0.418116502186	5.22069307565	0.427076133295	-0.0683381421879	0.0313323321813	0.165557799455	0.138370207992	-0.281496091398	-0.426278852458	-0.543607327786	-0.589447557034	0.388413379806	0.0275224915007	0.0648884069008	0.385027425652	0.0175700693856	0.373356142805	-7.44355552415	4.96252050758	-3.52886570125
10	2.63248623155	-0.540885284725	0.37303847158	2.57491361342	-1.35711474348	3.60517816377	-0.0755871635682	-0.296322925088	-0.0236736044133	0.53347023122	0.116122609034	-0.0585257937437	-0.455206525111	0.189822580191	-0.018204812819	0.398267606204	-0.0327062361437	0.0244276373039	0.433936588279	-0.0610105287936	0.354770737079	1.03801975281	0.270657746393	3.49943378986
11	4.07891286275	-0.686205572864	-0.327063547502	2.05164162936	0.0165614374438	2.04621464276	0.463347101341	0.319723960107	0.227138426232	-0.460528646904	-0.313358460662	0.14462289661	-0.470464546833	-0.72872774397	-0.112340620776	0.425286502092	0.103988591474	0.0289745242847	0.616305646621	0.0309820823375	0.385312582868	-1.25484414296	-26.3738101919	-17.2992018082
12	5.30717474986	2.94314380659	-2.22740849345	9.67347398341	-5.79692460543	3.93559707966	-0.12140164266	0.655392711559	-0.975480239857	-1.06129390438	-0.195323449712	-0.771290371886	0.725753962106	0.481978258957	0.408569183502	0.368210741883	0.000206990888643	0.0385377317326	0.451046679537	-0.0639689851663	0.445423561609	7.20767650784	-39.1798436796	-10.1804208931
13	2.47343843332	1.20743546548	1.49196643816	8.96064196834	-1.6958322962	1.57581879218	-0.441417083264	0.370820487046	-0.914812227399	0.284941793556	0.527283403735	-0.336980948101	1.48513393024	0.189647898241	0.333894311625	0.537571091816	0.0228033188836	0.0125768022873	0.48147762172	0.0409794068998	0.538513332752	0.663052290667	-46.8950289369	-2.26060962395
14	1.98288910191	0.504307573413	-1.39800179352	1.88551753362	-0.660183822978	4.0322062043	0.0332701953809	0.0587210386445	0.106836403629	-0.250162366653	-0.0449557133291	0.136615687975	-0.0455272544761	-0.313735442775	-0.101222419195	0.279748909557	0.0259283111191	-0.0261120308842	0.356147908437	-0.0605997076243	0.345017627206	-11.928881036	-39.3254569169	12.6371955742
15	2.73046572178	1.8987432749	-3.76091131876	5.29509809559	-0.53370908678	6.65224836217	1.05425594088	-0.38479889901	-1.83463176532	0.0261293682427	-1.36528451288	-0.638443697579	0.255112019584	0.415462877725	0.259157293077	0.484410082335	0.0815005379381	0.000236517785354	0.485130321701	0.0556200559139	0.500490275596	-10.4949646174	-45.8555736458	28.1968465266
16	3.45681612711	-0.403045679627	-0.697463325943	0.751367336423	-0.470251979184	2.78462198033	-0.162672423818	0.0347754806939	-0.0477661903536	0.0267458402886	0.0711973176163	0.294597483671	-0.19803581682	-0.469915624781	0.121997463811	0.304206612451	0.0334893372762	-0.0174018486982	0.3602617996	-0.0356739808683	0.353731407472	-21.2140768376	-41.436452465	21.9790466154
17	3.94122123537	2.56299658471	-3.37954410352	6.44601895778	-5.28579259812	4.84469771009	-0.0652994784672	-0.346137741104	-0.515207725335	-0.319264437902	0.0638796156377	-0.0753285968263	1.70368378334	0.445394986847	0.268905834127	0.48349287036	-0.0178012263575	0.0173520120542	0.482309830727	0.0076201764524	0.495187522272	-14.7180381324	-51.7901092358	20.9945067892
18	4.69867713493	1.14825293362	-3.72379016833	2.8685072726	-2.09492469375	6.03086816049	-0.473791636532	-0.0103622436816	-0.617336073293	-0.259993381733	0.169272128484	0.0332553299436	0.790763882618	0.12191256299	0.110288484398	0.423366602183	0.0651758582915	0.0122512880696	0.421999176811	0.0107687916674	0.449024771521	-14.6963008283	-50.2536943293	24.6788244263
19	8.57008127461	0.363770987696	1.08261101429	7.66777715373	2.33896042235	9.44035522916	-0.173149491936	-1.17670132469	0.354763610694	0.11303913887	0.274050603377	0.250487424762	-0.126196784821	0.935902275513	0.0346807809733	0.352954812445	0.0194626003179	0.01214204231	0.558426282425	-0.0455530573854	0.380479649094	-1.81542559195	-37.7815488781	16.0436794795
20	3.25792079606	-1.31031324439	0.110240315863	1.66903773523	-0.0958323047573	1.97133188071	0.189669854417	-0.0225877102261	-0.0180205439701	0.101935853195	-0.0331849784965	-0.161300471038	-0.0636669681024	0.0334655336693	-0.0519885137014	0.405735791384	0.0374519994124	0.0464316041838	0.574593580428	-0.0721313578167	0.450104307859	-1.29047929852	4.95658725491	-14.1970016342
21	5.73548671091	2.15140521597	0.188572613327	9.10805782462	-0.508001291936	3.96142158314	0.253876394456	1.31854615373	-1.7162590308	-0.408527098138	-0.147282546513	-1.23356688261	1.20175583129	0.920806435938	-0.14754593613	0.679999654161	0.196903631212	0.0200815965654	0.665210511887	-0.135462340357	0.635813666977	6.70362704123	-8.29876376954	-7.38626666613
22	1.0330200424	0.377024675974	-1.43713345522	2.50581691987	3.71418192018	8.92918177718	0.212767951992	0.471412609794	-0.747063066872	-0.36978154325	-0.407022738853	-0.136796256748	0.451579266539	-0.615757595133	0.0750827178379	0.5563101089	0.0155881356247	-0.00917207979209	0.359038809949	-0.0123020481256	0.461053702093	-8.34794690249	-11.8072579729	6.61398399825
23	3.85650198477	1.25615938655	-1.11200740861	3.55834233626	-0.723671772909	4.12838076284	-0.122300539455	-0.175322251078	-0.0820346803286	-0.0417022454312	0.113006536144	0.0202259199193	-0.0777064304381	-0.0598017716681	0.0452664746554	0.222330364268	0.00390838553906	-0.00713744777786	0.314301748601	-0.0315481110562	0.285291248672	-14.9041988349	-7.40443641803	27.3255049471
24	4.35934918555	-1.49359714155	-2.56200641319	2.3113332206	0.563347319576	4.39806140654	-0.00188775355587	0.751054068422	-0.0605639431168	0.207308710011	-0.171976199252	-0.0269549873846	0.793938986477	-0.670784169355	-0.0689633397508	0.32789118727	-0.0150994165781	-0.0305573842518	0.408953084574	0.00935961219306	0.322682720403	-21.8437746623	-12.6884766716	20.8269363819
25	2.03784680893	0.753889825758	0.0343250723129	0.393834050819	-0.943396124457	7.15699475164	-0.188769690321	-0.602696561986	-0.404031018306	-0.275011110274	0.0876832172206	-0.44453365191	0.729594829654	0.256033197779	0.170951672272	0.458678409946	0.0487705415344	-0.00652547902109	0.289773798785	0.0109458946436	0.458943735826	-14.4753480611	-18.7328163273	27.244599619
26	7.2213997525	0.151789928699	0.955616127036	4.42612287944	1.52207434313	7.53511598908	-0.121280833082	-0.635993098336	-0.40125733473	0.359145244981	0.152981201099	-0.796997299734	0.137550554583	0.865883138855	0.140559464057	0.333668236535	0.0740672078429	0.0208853624404	0.763712211934	0.0647075793781	0.439171996133	-2.24066277431	-6.80544436547	19.1721459718

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 3 through 21 )	A	A	3 - 21	1 - 19
2	2	chain 'A' and (resid 22 through 26 )	A	A	22 - 26	20 - 24
3	3	chain 'A' and (resid 27 through 56 )	A	A	27 - 56	25 - 54
4	4	chain 'A' and (resid 57 through 99 )	A	A	57 - 99	55 - 97
5	5	chain 'A' and (resid 100 through 112 )	A	A	100 - 112	98 - 110
6	6	chain 'B' and (resid 3 through 23 )	B	C	3 - 23	1 - 21
7	7	chain 'B' and (resid 24 through 56 )	B	C	24 - 56	22 - 54
8	8	chain 'B' and (resid 57 through 67 )	B	C	57 - 67	55 - 65
9	9	chain 'B' and (resid 68 through 89 )	B	C	68 - 89	66 - 87
10	10	chain 'B' and (resid 90 through 112 )	B	C	90 - 112	88 - 110
11	11	chain 'C' and (resid 2 through 11 )	C	E	2 - 11	1 - 10
12	12	chain 'C' and (resid 12 through 21 )	C	E	12 - 21	11 - 20
13	13	chain 'C' and (resid 22 through 26 )	C	E	22 - 26	21 - 25
14	14	chain 'C' and (resid 27 through 51 )	C	E	27 - 51	26 - 50
15	15	chain 'C' and (resid 52 through 56 )	C	E	52 - 56	51 - 55
16	16	chain 'C' and (resid 57 through 80 )	C	E	57 - 80	56 - 79
17	17	chain 'C' and (resid 81 through 89 )	C	E	81 - 89	80 - 88
18	18	chain 'C' and (resid 90 through 99 )	C	E	90 - 99	89 - 98
19	19	chain 'C' and (resid 100 through 113 )	C	E	100 - 113	99 - 112
20	20	chain 'D' and (resid 2 through 11 )	D	G	2 - 11	1 - 10
21	21	chain 'D' and (resid 12 through 21 )	D	G	12 - 21	11 - 20
22	22	chain 'D' and (resid 22 through 39 )	D	G	22 - 39	21 - 38
23	23	chain 'D' and (resid 40 through 67 )	D	G	40 - 67	39 - 66
24	24	chain 'D' and (resid 68 through 80 )	D	G	68 - 80	67 - 79
25	25	chain 'D' and (resid 81 through 99 )	D	G	81 - 99	80 - 98
26	26	chain 'D' and (resid 100 through 112 )	D	G	100 - 112	99 - 111

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