PDB-7lnj: CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA

ID or keywords:

Entry

Database: PDB / ID: 7lnj

Title

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA

Components

DNA Strand 1DNA
DNA Strand 2DNA
Site-specific DNA-methyltransferase (adenine-specific)DNA methyltransferase

Keywords

TRANSFERASE/DNA /

DNA Adenine Methylation /

PROTEIN-DNA COMPLEX /

TRANSFERASE / TRANSFERASE-DNA complex

Function / homology

Function and homology information

N-methyltransferase activity /

site-specific DNA-methyltransferase (adenine-specific) /

site-specific DNA-methyltransferase (adenine-specific) activity / DNA restriction-modification system /

Biological species

Clostridioides difficile (bacteria)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 2.68 Å

Authors

Horton, J.R. / Cheng, X. / Zhou, J.

Funding support

United States, 1items

Citation

Journal: Nat Commun / Year: 2021
Title: Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix.
Authors: Zhou, J. / Horton, J.R. / Blumenthal, R.M. / Zhang, X. / Cheng, X.

History

Deposition	Feb 7, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 19, 2021	Provider: repository / Type: Initial release
Revision 1.1	Jul 14, 2021	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID
Revision 1.2	Oct 18, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7lnj.cif.gz	858.8 KB	Display	PDBx/mmCIF format
PDB format	pdb7lnj.ent.gz	624.6 KB	Display	PDB format
PDBx/mmJSON format	7lnj.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/ln/7lnj ftp://data.pdbj.org/pub/pdb/validation_reports/ln/7lnj	HTTPS FTP

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Related structure data

Related structure data	7lniSC 7lt5C S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7lni-2 7lnj-2 7lni-1 7lt5-1 4ywg-2 2fsk-d 3ffn-2 7lt5-2 2ch6-2 2ch5-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

7lniSC

7lt5C

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#67 - Jul 2005 TATA-Binding Protein similarity (1) #91 - Jul 2007 Thymine Dimers similarity (1) #255 - Mar 2021 Cisplatin and DNA similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #253 - Jan 2021 Expressome similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #122 - Feb 2010 Enhanceosome similarity (1) #181 - Jan 2015 Cascade and CRISPR similarity (1) #84 - Dec 2006 Transposase similarity (1) #48 - Dec 2003 Catabolite Activator Protein similarity (1) #227 - Nov 2018 Telomerase similarity (1) #112 - Apr 2009 Oct and Sox Transcription Factors similarity (1) #150 - Jun 2012 Sliding Clamps similarity (1) #180 - Dec 2014 TAL Effectors similarity (1) #135 - Mar 2011 Integrase similarity (1) #40 - Apr 2003 RNA Polymerase similarity (1) #155 - Nov 2012 Vitamin D Receptor similarity (1) #87 - Mar 2007 Zinc Fingers similarity (1) #73 - Jan 2006 Topoisomerase similarity (1) #3 - Mar 2000 DNA Polymerase similarity (1) #139 - Jul 2011 DNA Methyltransferase similarity (1) #125 - May 2010 Parvoviruses similarity (1) #131 - Nov 2010 Inteins similarity (1) #8 - Aug 2000 Restriction Enzymes similarity (1) #7 - Jul 2000 Nucleosome similarity (1) #55 - Jul 2004 DNA Ligase similarity (1) #45 - Sep 2003 Estrogen Receptor similarity (1) #33 - Sep 2002 HIV Reverse Transcriptase similarity (1) #39 - Mar 2003 lac Repressor similarity (1) #160 - Apr 2013 Actinomycin similarity (1) #31 - Jul 2002 p53 Tumor Suppressor similarity (1) #258 - Jun 2021 Glucocorticoid Receptor and Dexamethasone similarity (1) #257 - May 2021 Fetal Hemoglobin similarity (1) #119 - Nov 2009 Designed DNA Crystal similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #23 - Nov 2001 DNA similarity (1) #190 - Oct 2015 Two-component Systems similarity (1) #92 - Aug 2007 Anabolic Steroids similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#67 - Jul 2005
TATA-Binding Protein
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Thymine Dimers
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DNA Helicase
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Expressome
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RecA and Rad51
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Telomerase
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Sliding Clamps
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Deposited unit

A: Site-specific DNA-methyltransferase (adenine-specific)

B: Site-specific DNA-methyltransferase (adenine-specific)

C: Site-specific DNA-methyltransferase (adenine-specific)

E: DNA Strand 2

D: DNA Strand 1

F: DNA Strand 1

G: DNA Strand 2

H: DNA Strand 1

I: DNA Strand 2

232 kDa, 9 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Site-specific DNA-methyltransferase (adenine-specific)

E: DNA Strand 2

D: DNA Strand 1

defined by author&software
Evidence: isothermal titration calorimetry
77.4 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Site-specific DNA-methyltransferase (adenine-specific)

F: DNA Strand 1

G: DNA Strand 2

defined by author&software
77.4 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Site-specific DNA-methyltransferase (adenine-specific)

H: DNA Strand 1

I: DNA Strand 2

defined by author&software
77.4 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	82.253, 161.361, 230.633
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

#1: Protein	Site-specific DNA-methyltransferase (adenine-specific) / DNA methyltransferase / CamA methyltransferase Mass: 68887.172 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridioides difficile (bacteria) / Strain: 630 / Gene: CD630_27580 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta References: UniProt: Q183J3, site-specific DNA-methyltransferase (adenine-specific)
#2: DNA chain	DNA Strand 2 / DNA Mass: 4325.825 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain	DNA Strand 1 / DNA Mass: 4232.795 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 124 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.29 Å³/Da / Density % sol: 62.66 %
Crystal grow	Temperature: 292 K / Method: vapor diffusion, sitting drop / pH: 6.7 Details: 0.1 M Bis-Tris pH 6.7, 23% polyethylene glycol (PEG) 3350, 0.3 M potassium citrate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 20, 2020
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.68→44.35 Å / Num. obs: 75973 / % possible obs: 87.8 % / Redundancy: 10.3 % / B_iso Wilson estimate: 56.88 Å² / R_merge(I) obs: 0.224 / R_pim(I) all: 0.068 / Net I/σ(I): 16.3
Reflection shell	Resolution: 2.68→2.79 Å / Redundancy: 7 % / R_merge(I) obs: 2.04 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 6312 / CC_1/2: 0.384 / R_pim(I) all: 0.69 / % possible all: 73.8

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Processing

Software

Name	Version	Classification
SERGUI		data collection
PHENIX	1.19_4092	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS
Starting model: 7LNI

7lni

Resolution: 2.68→44.35 Å / SU ML: 0.4054 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.6037
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2507	3871	5.1 %
R_work	0.2103	72102	-
obs	0.2123	75973	87.29 %

Solvent computation

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

Displacement parameters

B_iso mean: 62.17 Å²

Refinement step

Cycle: LAST / Resolution: 2.68→44.35 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13239	1686	0	124	15049

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	15409
X-RAY DIFFRACTION	f_angle_d	0.4314	21145
X-RAY DIFFRACTION	f_chiral_restr	0.0389	2337
X-RAY DIFFRACTION	f_plane_restr	0.0026	2363
X-RAY DIFFRACTION	f_dihedral_angle_d	16.5501	5790

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 (%)
2.68-2.71	0.5044	116	0.4501	1768	X-RAY DIFFRACTION	61.29
2.71-2.75	0.4467	129	0.4031	2110	X-RAY DIFFRACTION	72.53
2.75-2.78	0.3911	105	0.3593	2229	X-RAY DIFFRACTION	76.73
2.78-2.82	0.3337	123	0.3406	2267	X-RAY DIFFRACTION	78.1
2.82-2.86	0.3939	117	0.3171	2379	X-RAY DIFFRACTION	81.49
2.86-2.9	0.3395	124	0.3143	2403	X-RAY DIFFRACTION	82.23
2.9-2.95	0.3677	121	0.3038	2425	X-RAY DIFFRACTION	82.39
2.95-3	0.3481	131	0.2911	2480	X-RAY DIFFRACTION	85.24
3-3.05	0.3474	107	0.2813	2524	X-RAY DIFFRACTION	84.93
3.05-3.1	0.3424	131	0.2929	2529	X-RAY DIFFRACTION	87.36
3.1-3.16	0.3223	126	0.2855	2545	X-RAY DIFFRACTION	85.42
3.16-3.23	0.3408	150	0.2899	2522	X-RAY DIFFRACTION	87.78
3.23-3.3	0.3202	142	0.284	2554	X-RAY DIFFRACTION	86.52
3.3-3.38	0.2363	134	0.2383	2530	X-RAY DIFFRACTION	87.92
3.38-3.46	0.2425	134	0.212	2566	X-RAY DIFFRACTION	86.76
3.46-3.55	0.2806	111	0.2009	2603	X-RAY DIFFRACTION	87.29
3.55-3.66	0.24	120	0.198	2555	X-RAY DIFFRACTION	86.74
3.66-3.78	0.2491	144	0.2012	2538	X-RAY DIFFRACTION	86.24
3.78-3.91	0.2575	131	0.1971	2589	X-RAY DIFFRACTION	87.71
3.91-4.07	0.2254	162	0.1833	2581	X-RAY DIFFRACTION	88.83
4.07-4.25	0.2033	163	0.1639	2646	X-RAY DIFFRACTION	90.12
4.25-4.48	0.2067	158	0.1593	2732	X-RAY DIFFRACTION	93.08
4.48-4.76	0.1862	152	0.151	2890	X-RAY DIFFRACTION	96.51
4.76-5.12	0.2162	166	0.165	2954	X-RAY DIFFRACTION	99.24
5.12-5.64	0.2282	165	0.1727	2974	X-RAY DIFFRACTION	99.97
5.64-6.45	0.21	155	0.1858	3028	X-RAY DIFFRACTION	99.97
6.45-8.12	0.2198	178	0.196	3022	X-RAY DIFFRACTION	99.69
8.12-44.35	0.22	176	0.191	3159	X-RAY DIFFRACTION	99.23

Refinement TLS params.

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

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.592584069797	0.00173422142082	-0.703520446154	0.76818489284	-0.13594988039	0.658695842611	-0.00653705192853	-0.00138996412142	-0.0546551391339	0.127191090831	-0.00921055430646	0.0771953164952	-0.639631981091	-0.619485240734	4.45721929049E-8	0.505966041965	0.0709855341959	0.036729084441	0.592860723083	-0.0691246493316	0.493985529875	-31.0067940676	-1.36429073966	30.6050926167
2	1.68274868763	0.243908980584	-0.852336867035	1.48283633389	-0.105214721326	0.710768109637	-0.141611338699	0.198593401616	0.121916124016	0.291128633851	-0.11540259189	0.292807953362	-0.174953871383	-0.427664744065	3.97734818617E-8	0.603365337748	0.126088937953	0.0703804484913	0.482236244546	-0.0969043984564	0.579357789422	-36.0806397777	8.5899272476	36.1361463642
3	0.990627054046	-0.826008804519	-0.773217069357	2.10430697113	0.867636531968	2.47931469661	0.0594405516621	-0.0403262925188	0.226691394876	-0.139214683515	0.109391090496	-0.301558472246	-0.414440112912	0.0873339337954	-9.98160892445E-9	0.447268234547	-0.0116199083558	0.0654795725507	0.456083656494	-0.0479068355383	0.425116423439	-22.1708309546	-3.99570437834	18.6133702416
4	0.903122277373	-0.794490751628	-0.228824339886	2.13879961533	0.793473120599	1.2489903114	-0.122497960403	-0.0992050879669	0.0786699972883	0.381497693224	0.121724910658	-0.10727954393	0.187721799174	0.0861534688074	-3.44375754049E-9	0.330059529338	-0.0461408871063	0.0497884684854	0.520286364798	-0.0329740027048	0.428228591227	-18.3458103595	-23.9168346118	18.5660450744
5	1.96626124505	0.221206765617	0.464193541637	1.81759182369	0.271655680203	0.644103411607	0.0380121588859	0.583804297108	0.0893302747999	-0.882047392874	-0.0199853347719	0.269001732824	0.350625724494	-0.124477676206	0.000714427063151	0.512522770872	-0.0517782060338	-0.0432454753536	0.699057831759	-0.0611058009659	0.459730314547	-28.7028294955	-27.1701326391	-16.2683586541
6	2.36668433517	-0.198678147616	0.616855667199	2.7915453538	-0.788674110245	2.64696563687	-0.0667590608721	0.208901607997	-0.0837560973059	-0.227330754408	-0.144367021506	-0.196811802084	0.167537078391	0.258583844501	-0.00371982628769	0.210912491926	-0.0264502716498	0.0690585871412	0.418186378231	-0.0448884898801	0.315245069607	-15.3628957085	-31.0157239446	1.29607522036
7	0.648591718293	-0.793933901532	-0.128253955071	1.38893905001	-0.369471310898	0.953451836731	0.0267777678516	-0.1155988617	-0.255086566562	-0.153570286337	0.0241790208387	-0.180683671997	0.633666145736	-0.140212353088	6.00555197749E-8	0.519208214279	0.0373774129027	0.102937107744	0.481875707981	0.025419011917	0.540039326441	-14.8585053559	-48.9507148734	10.0350731569
8	0.964533745833	-0.165750695556	-0.36241538792	0.927141302688	-0.869642105196	0.890189044264	-0.0298451294807	0.10883274588	0.0664867381923	-0.195379677006	-0.0750605675043	-0.191149728552	-0.608862066051	-0.0695005619339	1.67616178984E-7	0.683656418393	0.165353773605	0.0584585795466	0.532734457121	0.0833869457655	0.489864462072	-14.8187670498	11.1186405513	-59.974684178
9	0.422825221221	-0.128834062689	-0.149798849299	0.173092618099	0.180929461823	0.203389272976	-0.293206559649	-0.208420667568	0.492590702606	0.386580729559	-0.125585515585	-0.0331887242299	-1.17078537679	0.119463745295	-3.2255408246E-7	1.17743950198	0.0457271986911	-0.156791239079	0.563726522659	0.0865728456757	0.609961493623	-15.4478224007	22.7202384067	-53.6764854031
10	2.1181814887	-0.385957877942	0.890795575985	1.41364812593	-0.314450865451	2.31868972156	0.160539114694	-0.128664991611	-0.0053433042343	-0.0785319986953	0.0396586416722	0.229875504354	-0.24913169729	-0.447357137862	-2.02143239945E-8	0.502876044174	0.108488342803	0.0451996014826	0.505240323085	0.124377542297	0.394385065285	-13.2134124629	-0.352169315894	-40.5017518949
11	1.3300736788	-0.705198332991	0.467982948287	1.1593183639	-0.473862565294	2.09587728754	0.147403957727	-0.0266693671438	-0.0399258231962	-0.0462491791713	0.0482548994337	-0.0470699252952	0.21039017532	0.134060889379	0.00025874943459	0.363236523274	-0.00785359403821	-0.0077823968062	0.343804607414	0.0358740772435	0.427454031717	7.17208795335	-17.2156706366	-25.7368586497
12	0.117475330854	0.256733855098	0.0409522428129	0.431445110502	0.331803870815	0.213544095167	0.0339532907879	-0.365062729905	0.0332406471062	0.987171784442	0.185763715672	-0.343843501556	-0.317760328155	0.186541918977	-1.6436324789E-6	1.21491258089	0.14555671026	-0.0540756868654	0.949079632238	-0.0860513585591	0.814871616748	21.9099351047	51.5064021248	-14.8141872665
13	0.0538407652276	-0.03536457141	-0.0856176507052	-0.0130255178033	0.0319222333893	0.0283583208439	0.441092667655	-1.29061039116	0.986095187345	0.718866009761	0.321947468094	0.182279470121	-0.425781161864	0.102616413418	0.00519186809671	1.88190160779	0.208114861994	0.0188547241387	1.42044249436	-0.234693785418	0.788733356105	20.6432295053	59.450416544	-2.52553113963
14	1.47796053568	-0.72835820127	-0.297497128111	1.7962451629	0.00143695892106	0.740281787076	-0.255748878574	-0.662527797352	-0.00118241740829	0.924795646597	0.213371042812	0.0486953232408	0.158117734968	0.127648022833	6.78539033967E-9	1.10584406588	0.0803589405293	0.0137413044881	0.765211420363	0.0264199032234	0.652382255521	21.8308822564	39.752141176	-19.3308441199
15	0.843112548343	-0.883231478863	0.246732365795	1.16003034062	-0.216251161929	0.925335575102	-0.00744335430797	-0.0455696363858	-0.153552610228	-0.153808449646	0.0455966368877	0.274748823146	-0.290649646859	-0.0480288696394	6.38704876005E-8	0.767391596509	0.0847128297589	0.0929223124211	0.683150452873	-0.027845679165	0.800473681675	13.2885721705	52.1552202	-31.538368073
16	0.581032865411	0.0564246288382	0.792234602348	2.26488666551	0.0830953219918	1.82320372735	0.24388171453	0.126730822603	-0.134830600926	-0.425287632284	-0.184352580644	0.0656320311815	0.131906452727	0.0503871004791	-5.80942361194E-9	0.494800942492	-0.00990319991158	0.0518453524069	0.423801548333	0.0403344660005	0.580737024117	24.5675314445	29.3557959882	-53.7922772703
17	1.39352345812	0.286634495625	-0.445617343649	0.341777651643	0.0591927811826	0.830791004618	0.167182995027	0.0796753337959	-0.372233945566	-0.313699066802	-0.224971941907	-0.18137567191	0.307423550045	0.314945695634	-9.37236225475E-9	0.735157099491	0.147990945433	0.0619827127861	0.612612238026	0.0993692307016	0.696205357188	38.8407117687	18.9877578471	-51.6150597205
18	1.90553567452	-1.32559971354	0.375480659376	1.31679596311	-0.186466047863	1.52655740681	0.152425906126	0.0946797335931	-0.24744016969	-0.609297370438	-0.117047006523	0.37986794502	0.0952310247614	-0.0519170555746	-4.19343376588E-8	0.582453270875	-0.00660918623938	-0.0262633220681	0.427912234664	0.050231568531	0.655651791742	19.3156141426	30.6942272368	-54.0845491754
19	0.357499378088	-0.362761042287	0.287309822542	0.645847401056	-0.221563127359	0.554670756875	0.45207690892	0.303767742541	0.112144507774	-0.726605792876	-0.0298143056653	0.165777729141	0.0813768666456	-0.0729625734638	-3.98981118606E-7	1.11230304409	0.0530439533958	-0.147561170118	0.627448745212	0.0359032386538	0.750238392366	13.5181538101	44.0166605717	-67.8628232021
20	0.726921570651	-0.588727026548	0.594809982577	0.941613854925	0.0712625805443	1.0142030064	-0.0994407735081	-0.340978100836	0.17551573578	0.15012095701	0.00488839111806	0.730504634135	-0.0897610041964	-0.572076701016	-0.0315366143258	0.363846219466	0.0364724113049	0.207382867478	0.680467635131	0.0280240142826	0.599935797704	-31.8994828868	-20.3076357595	3.95971219218
21	0.704669715189	-1.09052837083	0.567121498161	2.3378241241	-0.0973798096335	1.18502084189	-0.217049132644	0.0237526593221	-0.121453848372	0.00219077218822	0.25929024211	0.509481121125	0.0531716769864	-0.556283077575	-0.0115685813881	0.3246651838	-0.100694127786	0.0423684244752	0.609374460512	-0.0315087665766	0.457690364483	-29.1019620216	-19.3297813849	2.37289043746
22	0.719409417806	-1.0295715653	-0.509810926442	1.43152315587	-0.406682607473	0.954088995538	0.289659036573	-0.159940213322	0.147639099751	-0.0306427125367	-0.0537877365282	-0.276169778106	-0.762139977997	0.358452206193	0.000423505393356	0.460056700365	-0.0884725317832	0.0576076092566	0.454172822908	0.00934747319125	0.402230287939	4.87658821678	-2.59267120716	-25.6756464302
23	0.574324456501	-0.383581098812	0.745217392772	0.098350679691	-0.610748241178	0.824945652204	-0.260490029175	-0.0504176801275	0.32167335245	-0.187590315147	0.156162820142	-0.251452113701	0.0487911325335	0.222595946666	-1.3070706892E-7	0.524603953411	-0.0909390751091	0.157683249234	0.352969117214	0.0604958305986	0.547989786919	7.85371367284	-0.101593410607	-28.6296479635
24	0.690604563924	-0.682893140325	0.701328318725	1.02162535374	0.100366637848	0.936953733647	-0.100789288247	0.0777744266039	-0.104960431396	-0.281959285048	-0.119673562215	-1.13275004109	-0.0795427544175	0.639873431876	0.00164009300007	0.711571050545	-0.110159699616	0.134370511486	0.584729668509	0.133490397676	0.913350284474	31.7328381994	32.6899065488	-41.7477625284
25	1.17974371917	-1.23749428375	-0.165860100311	1.16575273394	0.295529338209	1.2070142664	-0.0809035172171	-1.21609075863	0.958882571046	-0.167538697793	-0.60837735291	-0.154908360123	-0.382451253868	1.08704206909	-0.08002660774	0.570662205252	-0.209855790575	-0.0883796549789	0.653906538402	0.0461293749176	0.996900677645	35.0343532799	36.5138887803	-41.3831711244

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 26 through 66 )	A	A	26 - 66	1 - 41
2	2	chain 'A' and (resid 67 through 130 )	A	A	67 - 130	42 - 105
3	3	chain 'A' and (resid 131 through 273 )	A	A	131 - 273	106 - 239
4	4	chain 'A' and (resid 274 through 359 )	A	A	274 - 359	240 - 325
5	5	chain 'A' and (resid 360 through 428 )	A	A	360 - 428	326 - 394
6	6	chain 'A' and (resid 429 through 535 )	A	A	429 - 535	395 - 501
7	7	chain 'A' and (resid 536 through 577 )	A	A	536 - 577	502 - 543
8	8	chain 'B' and (resid 28 through 97 )	B	B	28 - 97	1 - 70
9	9	chain 'B' and (resid 98 through 143 )	B	B	98 - 143	71 - 116
10	10	chain 'B' and (resid 144 through 273 )	B	B	144 - 273	117 - 246
11	11	chain 'B' and (resid 274 through 577 )	B	B	274 - 577	247 - 550
12	12	chain 'C' and (resid 28 through 66 )	C	C	28 - 66	1 - 39
13	13	chain 'C' and (resid 67 through 97 )	C	C	67 - 97	40 - 70
14	14	chain 'C' and (resid 98 through 259 )	C	C	98 - 259	71 - 221
15	15	chain 'C' and (resid 260 through 320 )	C	C	260 - 320	222 - 282
16	16	chain 'C' and (resid 321 through 381 )	C	C	321 - 381	283 - 343
17	17	chain 'C' and (resid 382 through 428 )	C	C	382 - 428	344 - 390
18	18	chain 'C' and (resid 429 through 535 )	C	C	429 - 535	391 - 497
19	19	chain 'C' and (resid 536 through 577 )	C	C	536 - 577	498 - 539
20	20	chain 'E' and (resid 2 through 14 )	E	D	2 - 14
21	21	chain 'D' and (resid 1 through 14 )	D	E	1 - 14
22	22	chain 'F' and (resid 1 through 14 )	F	F	1 - 14
23	23	chain 'G' and (resid 1 through 14 )	G	G	1 - 14
24	24	chain 'H' and (resid 1 through 14 )	H	H	1 - 14
25	25	chain 'I' and (resid 1 through 14 )	I	I	1 - 14

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