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- PDB-6jrf: Crystal structure of ZmMoc1-Holliday junction Complex in the pres... -

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Open data

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Basic information

Entry

Database: PDB / ID: 6jrf

Title

Crystal structure of ZmMoc1-Holliday junction Complex in the presence of Calcium

Components

(DNA (33-MER)) x 2
Monokaryotic chloroplast 1

Keywords

DNA BINDING PROTEIN/DNA / Holliday junction resolvase-DNA complex / DNA BINDING PROTEIN / DNA BINDING PROTEIN-DNA complex

Function / homology

Holliday junction resolvase MOC1-like / crossover junction DNA endonuclease activity / metal ion binding / DNA / DNA (> 10) / Holliday junction resolvase MOC1, chloroplastic

Function and homology information

Biological species

Zea mays (maize)
synthetic construct (others)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.047 Å

Authors

Lin, Z. / Lin, H. / Zhang, D. / Yuan, C.

Citation

Journal: Nat.Chem.Biol. / Year: 2019
Title: Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Authors: Lin, H. / Zhang, D. / Zuo, K. / Yuan, C. / Li, J. / Huang, M. / Lin, Z.

History

Deposition	Apr 3, 2019	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Oct 23, 2019	Provider: repository / Type: Initial release
Revision 1.1	Oct 30, 2019	Group: Data collection / Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Dec 4, 2019	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3	Nov 22, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	6jrf.cif.gz	218.2 KB	Display	PDBx/mmCIF format
PDB format	pdb6jrf.ent.gz	171.3 KB	Display	PDB format
PDBx/mmJSON format	6jrf.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6jrf_validation.pdf.gz	467 KB	Display	wwPDB validaton report
Full document	6jrf_full_validation.pdf.gz	470 KB	Display
Data in XML	6jrf_validation.xml.gz	15.3 KB	Display
Data in CIF	6jrf_validation.cif.gz	20.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/jr/6jrf ftp://data.pdbj.org/pub/pdb/validation_reports/jr/6jrf	HTTPS FTP

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Related structure data

Related structure data	6is8C 6is9SC 6jrgC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6is8-d 3p52-d 1doh-d 3zv4-d 5x04-d 2a8i-d 5oji-d 5itv-1 3zv3-d 4no3-d Search similar-shape structures by Omokage search (details) 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	#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

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Assembly

Deposited unit

A: Monokaryotic chloroplast 1

B: Monokaryotic chloroplast 1

C: DNA (33-MER)

D: DNA (33-MER)

hetero molecules

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

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	51.850, 78.164, 64.033
Angle α, β, γ (deg.)	90.000, 97.390, 90.000
Int Tables number	4
Space group name H-M	P12₁1

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein	Monokaryotic chloroplast 1 Mass: 18712.346 Da / Num. of mol.: 2 / Fragment: RuvC domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Zea mays (maize) / Gene: Moc1, 100192759, ZEAMMB73_Zm00001d040409 / Plasmid: pGEX-6P-1 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: B4FCI7

#1: Protein

Monokaryotic chloroplast 1

Mass: 18712.346 Da / Num. of mol.: 2 / Fragment: RuvC domain
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Zea mays (maize) / Gene: Moc1, 100192759, ZEAMMB73_Zm00001d040409 / Plasmid: pGEX-6P-1 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: B4FCI7

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DNA chain , 2 types, 2 molecules CD

#2: DNA chain	DNA (33-MER) Mass: 10121.506 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: DNA chain	DNA (33-MER) Mass: 10152.517 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 3 types, 21 molecules

#4: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca
#5: Chemical	ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 Mass: 238.278 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₂₂O₆ / Comment: precipitant*YM
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 16 / Source method: isolated from a natural source / Formula: H₂O

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.32 Å³/Da / Density % sol: 46.94 %
Crystal grow	Temperature: 298 K / Method: evaporation / pH: 7.5 / Details: 50mM CaCl2, 10mM MES pH 5.5, 40% PEG 200

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

SSRF

/ Beamline: BL19U1 / Wavelength: 0.978 Å

Detector

Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Dec 30, 2018

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.978 Å / Relative weight: 1

Reflection

Resolution: 2.047→63.501 Å / Num. obs: 31763 / % possible obs: 99.2 % / Redundancy: 6.8 % / CC_1/2: 0.998 / R_merge(I) obs: 0.069 / R_pim(I) all: 0.028 / R_rim(I) all: 0.075 / Net I/σ(I): 12.6

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	% possible all
2.05-2.16	7.1	0.69	4663	0.906	0.281	0.746	99.8
6.47-63.5	6.4	0.057	1029	0.997	0.024	0.062	97.9

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Processing

Software

Name	Version	Classification
Aimless	0.7.2	data scaling
PHENIX	1.14_3260	refinement
PDB_EXTRACT	3.24	data extraction
DENZO		data reduction
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6IS9

6is9

Resolution: 2.047→63.501 Å / SU ML: 0.27 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 33.27

	R_factor	Num. reflection	% reflection
R_free	0.2649	1546	4.89 %
R_work	0.2085	-	-
obs	0.2112	31637	98.7 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso max: 200.86 Å² / B_iso mean: 77.9031 Å² / B_iso min: 28.84 Å²

Refinement step

Cycle: final / Resolution: 2.047→63.501 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2468	1245	20	16	3749
B_iso mean	-	-	75.9	55.66	-
Num. residues	-	-	-	-	387

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 11

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.0469-2.113	0.3956	142	0.3463	2720	2862	99
2.113-2.1885	0.336	137	0.309	2770	2907	100
2.1885-2.2761	0.306	158	0.2812	2729	2887	99
2.2761-2.3797	0.3171	133	0.2422	2730	2863	99
2.3797-2.5052	0.2863	143	0.2346	2648	2791	97
2.5052-2.6622	0.2715	128	0.2318	2738	2866	98
2.6622-2.8677	0.3089	163	0.2452	2719	2882	99
2.8677-3.1563	0.2785	139	0.2309	2756	2895	99
3.1563-3.613	0.3089	115	0.2127	2732	2847	98
3.613-4.5518	0.2287	147	0.1776	2762	2909	99
4.5518-63.5314	0.235	141	0.1821	2787	2928	98

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	5.3409	-5.8276	-5.2071	6.1203	5.4077	4.7475	-0.1663	-0.3718	1.075	1.5575	0.0528	-0.8352	0.7207	-0.3279	-0.0513	0.5031	-0.0342	-0.0428	0.5232	-0.1075	0.6637	7.5746	-30.7366	26.857
2	5.0371	-5.6365	-5.1906	7.1265	6.2204	5.8226	0.2835	0.3283	0.6821	1.2499	-0.3666	-1.0781	0.613	-0.5351	-0.2632	0.2261	0.0358	0.0538	0.4852	-0.031	0.5804	14.9356	-35.9092	27.3043
3	8.9276	-5.2739	-0.7299	7.0249	5.1322	6.5776	-0.3101	-1.5968	0.0576	1.6205	0.641	0.5015	-0.817	-0.166	-0.3093	0.7815	0.0825	0.1216	0.6313	-0.05	0.7152	5.6743	-25.7138	35.7975
4	9.0607	-6.8459	-5.0298	7.3715	7.0304	8.2572	0.0821	0.0025	0.4667	2.1044	0.2659	-1.0407	1.5365	-0.1026	-0.4705	0.4835	0.0117	-0.1102	0.4089	-0.0102	0.4207	15.6373	-40.7417	31.0936
5	5.5275	0.7213	-1.6486	9.5373	5.5759	4.6686	-0.0436	0.3254	0.2573	1.2177	0.8347	-0.7789	3.1678	0.4398	-0.7231	0.9018	0.2164	-0.0969	0.5035	0.0915	0.5776	24.5297	-55.5549	22.7306
6	4.5364	-3.011	-4.9616	5.0207	5.2441	7.2197	0.8458	-0.3403	-1.0032	0.8484	-0.8665	-0.0987	2.1541	0.4098	0.1456	0.642	0.1328	-0.0341	0.6056	0.0673	0.5173	17.9155	-48.2668	24.2113
7	5.9089	-5.4824	-4.3079	5.1298	3.6824	5.2485	0.5316	-1.4293	-0.6346	2.2483	-0.8945	1.6973	1.2142	-1.2342	0.1204	0.5376	-0.1863	0.23	0.78	-0.0159	0.5494	6.7171	-45.0844	30.6433
8	8.5274	-4.2674	5.4204	4.0816	-3.3821	3.5908	1.1563	-0.7996	0.4948	0.8776	-0.4891	2.564	-0.0151	-2.1816	-0.4846	0.5754	0.0554	0.1093	0.952	-0.1163	0.8381	0.2048	-34.932	29.6906
9	4.1621	2.2701	-4.1178	1.3893	-2.5293	4.4735	-0.1285	0.5437	0.4359	-0.2228	0.3415	-1.0077	1.1149	-0.5685	-0.4702	0.5875	0.0547	0.064	0.4867	-0.044	0.8618	12.8051	-32.1152	16.859
10	8.6148	0.5651	-1.2425	2.1892	1.9799	7.2533	-0.7564	0.0465	-0.2106	1.498	0.5127	-0.8369	0.1481	1.2427	0.2264	0.6974	-0.0089	0.0239	0.7876	0.0904	0.4916	25.7362	-38.9157	9.3892
11	4.3094	4.6817	-3.9347	6.4585	-1.6464	9.5888	0.067	-0.251	-0.0604	0.0849	-0.3634	-0.3313	-0.1885	0.8926	0.1663	0.319	0.0128	0.0155	0.3704	0.0609	0.3873	17.4679	-43.5225	14.7585
12	8.5255	-4.4642	-1.2343	8.3596	0.1524	2.6198	-0.7967	-0.4032	0.3501	0.2972	0.2147	0.8533	1.3016	-0.7408	0.6079	0.3117	-0.0994	0.0362	0.5188	-0.113	0.4968	4.6272	-40.4569	22.0911
13	7.4715	4.6624	-6.239	6.7423	-3.012	5.2343	-0.2976	-0.6788	1.228	-0.5826	-0.0017	1.4391	-0.873	-0.3857	-0.0144	0.2306	0.109	-0.1097	0.7379	-0.1108	0.5138	5.5744	-31.3487	18.8326
14	3.7013	2.9506	0.6648	9.0535	5.4903	3.7951	0.0131	0.2459	0.2267	-0.0557	0.0151	-1.2129	-1.6772	0.6559	0.0385	0.5841	-0.0303	-0.1	0.5573	0.0966	0.6779	16.9488	-21.7481	18.7899
15	9.3228	-2.0211	5.2665	2.0495	-1.4257	4.4325	-0.564	1.5802	0.0269	0.3196	-0.0902	-0.9809	-0.9708	2.0174	0.365	0.8716	-0.3447	0.0075	0.7623	0.0046	0.9173	26.774	-22.6168	20.9813
16	2.4823	-3.4264	-2.7917	5.9403	2.476	5.9199	-0.8915	1.499	1.1812	0.232	0.2413	-0.8496	-0.8987	1.087	0.1318	0.5443	-0.2051	-0.3	0.6541	0.0158	0.858	23.4128	-22.827	29.3001
17	7.2215	0.0701	1.3605	3.8621	-3.7439	4.0905	-0.0257	-0.7354	0.4303	1.1127	0.226	-0.7661	-2.2684	0.3967	-0.1229	0.716	-0.1071	0.0029	0.4485	-0.1894	0.6338	16.7616	-22.4054	36.0207
18	2.1427	2.1559	2.4439	7.0361	-2.0289	7.3676	0.1212	-0.5127	1.0063	1.0791	-0.5691	-1.4558	0.1908	0.7239	0.1319	0.551	-0.0588	-0.2012	0.5285	-0.0377	0.9551	24.2137	-30.7218	33.9336
19	4.5573	-4.7711	5.5146	5.0542	-5.1447	5.9019	0.3383	-0.3473	-0.0654	-1.0758	-0.6129	0.1232	0.2795	-0.002	0.3067	0.548	0.0302	-0.0697	0.4413	-0.0084	0.5575	14.4733	-26.8796	26.3919
20	8.5123	1.5626	-3.2345	3.9384	-4.3519	5.0925	0.6148	-0.6704	1.6493	1.2565	-0.0027	1.4013	-2.1452	-0.5049	-0.3515	0.6113	0.1321	-0.1359	0.6624	-0.0368	0.6923	10.982	-16.9235	27.6059
21	6.1673	5.8891	-5.7275	6.1304	-5.8072	5.5057	-1.4111	0.1887	0.4923	-0.7894	0.9186	0.8618	2.859	-1.2488	0.5157	0.9185	-0.2792	0.0751	0.6305	-0.0283	0.4959	0.055	-59.3101	15.2325
22	3.8293	0.9582	-3.6652	3.15	0.5227	4.0109	-0.7189	0.7772	-0.1851	-2.4096	0.0214	0.1215	1.008	-0.0381	0.6631	0.6449	-0.0808	0.0352	0.5023	0.0081	0.3763	1.93	-53.9524	8.2266
23	6.7993	-2.1925	2.8883	4.1593	-0.207	9.0392	-0.436	-0.444	-0.0514	-0.6958	0.0553	0.6576	1.6038	-1.2946	0.1176	0.6272	-0.1485	0.027	0.5657	-0.1582	0.4468	-5.0487	-56.6422	10.0927
24	3.423	2.6164	3.3132	3.5395	4.3651	5.4782	-1.1968	0.7263	0.76	-1.1548	0.9537	0.6496	0.4853	0.7794	0.4573	0.7374	0.112	-0.0469	0.6229	0.1457	0.789	9.2187	-33.8317	1.6236
25	3.8971	4.2753	-2.5371	4.948	-3.793	6.7433	-0.5293	0.5926	0.6977	-1.5689	-0.7249	-0.4841	0.5936	0.9906	1.1002	0.6421	0.0384	0.0138	0.4478	0.1896	0.6648	7.8119	-39.5395	2.3946
26	9.4697	5.8495	-4.5829	8.764	-4.1307	2.5807	-0.0098	-0.6836	1.8164	-0.5089	0.0342	0.4602	-1.1722	-0.7385	-0.3528	0.4621	0.0902	0.0427	0.4813	-0.0609	0.7988	-1.7269	-43.3007	14.1077
27	4.4378	3.2267	-5.1108	4.294	-1.4785	9.5831	-0.6898	0.6374	-0.2866	-1.3539	0.5308	2.6565	0.6567	-0.8949	-0.2018	0.5112	-0.2038	0.0567	0.7629	-0.1015	0.7585	-6.842	-49.7572	16.7319
28	1.7232	2.8251	0.8741	5.2846	0.1601	3.9511	-0.3802	-0.5437	0.2617	-0.2012	-0.0242	0.8992	0.9166	-0.8403	-1.4577	1.4442	-0.6168	0.2275	0.9665	-0.1041	0.6736	-4.7069	-58.5491	23.2652
29	5.2811	2.9535	5.0822	2.3909	4.1186	7.4289	-0.2145	-1.1977	-0.5241	-0.3622	0.278	-2.6498	1.0216	1.001	-0.533	0.6738	0.0172	0.1934	0.445	-0.0675	0.7744	8.6131	-58.3109	14.809
30	2.7274	-5.1435	0.8955	9.9526	0.1864	9.9279	-0.0158	0.6827	-0.4371	-1.7101	0.3199	-0.4994	1.3838	1.0492	-0.2741	0.7174	0.1263	0.0616	0.5761	-0.05	0.508	21.0326	-49.5666	5.3608
31	3.4427	3.0809	1.165	4.0484	-1.0902	7.6832	-0.1143	0.1463	0.1716	0.1103	-0.1475	0.4347	0.792	-0.2917	0.1842	0.4202	-0.008	0.0545	0.3417	-0.0265	0.3648	7.576	-48.0568	16.0774
32	4.9814	-5.4799	-5.5983	8.1886	4.9131	7.6946	-0.2082	0.3648	-0.7111	1.2937	-0.1726	0.4408	1.9039	-0.1448	0.4856	0.8344	-0.1289	-0.0569	0.5627	-0.0553	0.3889	6.9091	-58.7423	19.8451
33	5.4372	5.6845	3.6715	6.1987	3.6021	3.8129	-0.2006	0.6427	-0.8214	-1.9013	0.3496	0.1634	1.0895	0.2427	-0.1211	1.1532	0.2036	0.0039	0.5063	-0.0537	0.5958	10.7511	-67.7248	9.1982
34	3.5835	-5.6997	-1.1284	9.2963	3.1619	7.6448	0.3731	1.008	0.3615	-0.7936	-0.0809	-1.3479	-0.2274	1.0462	-0.4323	0.9775	0.152	0.2384	0.8953	-0.1586	1.0313	12.3395	-66.9306	-1.5027
35	2.9499	3.6783	-2.6473	6.4297	-5.4717	4.9838	0.017	0.7959	-1.0757	-2.4653	0.5392	-0.4935	2.8872	1.2001	-0.4092	0.9312	0.0488	-0.0118	0.6318	-0.1262	0.5597	3.0559	-66.7507	-0.7615
36	3.8969	-2.2949	5.88	7.1649	-3.2998	8.8579	0.7513	-0.2798	-1.092	-0.8552	0.7536	-0.504	-0.3167	-0.2313	-1.0807	1.0165	-0.2051	-0.0132	0.47	-0.1919	0.7651	-4.9026	-68.5573	3.8574
37	4.8544	-3.5802	4.2416	2.6802	-3.3009	4.236	1.1582	0.709	-1.5929	-1.9435	-0.6627	2.9887	-0.0562	-0.4545	-0.2571	1.0321	-0.0962	0.1825	0.5526	-0.145	0.8919	-6.0122	-62.4924	-0.2882
38	9.8662	3.6723	6.1527	3.1618	2.8258	4.0519	0.5346	1.2977	0.0307	-1.8361	0.2991	0.3444	0.8533	-0.0426	-1.0761	1.1625	-0.0858	-0.0658	0.6871	-0.0255	0.4463	-0.3339	-57.6601	-4.9568
39	6.1406	-5.1626	5.7765	4.4779	-5.0509	5.8376	1.0949	1.21	0.7764	-0.6269	-1.2598	-0.8509	-0.0327	0.8632	-0.032	0.8788	-0.0841	0.0739	0.5582	-0.0163	0.4502	2.678	-58.8529	3.5825
40	5.6119	-1.7834	1.0568	7.71	-2.7851	3.1467	0.2966	-0.0344	-0.6796	0.3829	-0.1393	0.2022	1.4899	0.0631	-0.0288	1.1796	-0.1604	-0.154	0.5821	0.0035	0.504	1.9614	-69.2834	11.4155
41	7.1543	-5.7157	-7.4905	7.69	6.4629	7.7696	0.3301	1.1236	-0.1588	1.1988	0.763	-0.7908	1.3506	4.1303	-0.7223	0.7857	0.0311	-0.3028	1.6418	0.0591	0.9807	33.189	-37.8272	32.2475
42	2.9804	3.8115	3.9764	4.8051	5.1742	5.3861	-0.6949	1.2006	-0.8452	-0.6579	2.1925	-0.991	-2.225	0.6068	-1.3028	0.8501	0.0581	0.1176	1.4303	0.0971	0.8922	36.0519	-39.4269	16.3171
43	6.118	-3.3483	-1.4907	1.9895	0.6647	7.681	-0.0049	-0.0373	-0.7156	-1.1128	-0.17	0.2622	1.7165	0.6905	0.1747	0.9569	0.3073	0.08	0.7197	0.0575	0.6357	23.8654	-59.4295	12.7873
44	6.3478	-5.1671	6.0568	4.2876	-4.9432	5.7006	2.6827	0.8341	-0.9941	1.2671	0.6643	0.856	-1.2436	1.7259	-2.7981	2.0038	0.0317	-0.3332	2.0119	0.4038	1.2356	31.8476	-70.9491	15.9814
45	3.6248	3.6798	-1.8574	4.0966	-3.2047	4.2261	0.3252	1.3567	-0.9014	-1.4094	-0.4208	0.2086	1.5304	1.7298	0.0948	1.2734	0.4098	-0.0778	0.9253	-0.052	0.7707	20.7815	-64.0055	4.6577
46	2.7617	-1.1998	-1.8352	4.3119	4.4159	4.6964	0.3498	1.0804	0.3176	-0.9916	-0.5104	0.7967	0.3379	0.7246	0.0349	0.9424	0.2818	0.1039	0.9174	0.0885	0.6095	13.6146	-46.909	-0.958
47	6.2445	5.6391	2.8387	5.4261	2.8703	2.1921	-1.3344	1.6144	-0.7845	-3.1726	1.4535	0.0771	-1.4687	-1.6751	0.1147	1.7038	-0.1354	-0.319	2.0181	0.2605	0.8328	8.9927	-45.921	-16.2053
48	4.8988	4.1889	-2.2047	3.7082	-1.1347	6.7712	-1.2195	1.225	0.4162	-1.0572	1.6642	0.6528	-0.1666	-0.6653	-0.4627	1.3575	0.0238	-0.0648	1.3388	0.1342	0.8013	5.7604	-51.7207	-10.9354
49	9.6961	-1.3043	1.5188	4.3817	4.7183	5.801	0.2573	0.5891	-0.1041	-2.511	0.6192	-0.6078	-0.9821	1.2794	-1.1482	0.9026	0.0438	0.1779	0.7487	0.0885	0.4957	20.9332	-42.7455	-1.5285
50	7.9056	2.5028	-2.7075	1.1377	-2.3896	7.7721	0.8491	0.8264	2.496	-3.0278	-1.4786	0.1625	-2.4873	1.0571	0.4913	1.5022	0.1706	0.259	0.873	0.3628	1.4572	14.5578	-21.6328	5.93
51	2.8112	-4.4569	3.1103	6.9144	-4.8411	3.5077	0.5102	4.8044	-0.82	0.3564	-0.3697	-0.1875	0.7438	5.6687	-0.3875	1.3623	0.2021	-0.4378	2.1835	-0.1585	1.5702	17.6453	-20.4783	-3.8951
52	5.2428	-3.4487	3.402	3.9499	-0.026	5.0326	1.3325	1.0148	0.2843	0.3628	-1.863	-0.4923	-2.643	3.0758	0.7969	1.0646	-0.0258	0.1011	0.8675	0.1861	0.7806	24.4118	-25.5721	10.601
53	8.4639	-0.9414	-4.4476	4.6537	4.0559	5.1436	-0.6043	-0.3336	-0.4384	2.4621	0.3844	-0.497	0.5959	1.3082	0.3558	0.6542	0.2614	0.0219	0.8946	0.106	0.7534	27.9228	-42.5333	19.3254
54	4.0203	5.482	4.1501	9.7162	6.3483	4.9649	1.0938	-1.0716	-1.2985	1.3837	0.8245	-1.9218	1.1959	2.0315	-2.1173	1.4852	0.2991	-0.2254	1.859	0.0012	1.1626	40.2549	-43.3847	29.1909

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	(chain A and resid 109:116)	A	109 - 116
2	X-RAY DIFFRACTION	2	(chain A and resid 117:124)	A	117 - 124
3	X-RAY DIFFRACTION	3	(chain A and resid 125:132)	A	125 - 132
4	X-RAY DIFFRACTION	4	(chain A and resid 133:139)	A	133 - 139
5	X-RAY DIFFRACTION	5	(chain A and resid 140:147)	A	140 - 147
6	X-RAY DIFFRACTION	6	(chain A and resid 148:153)	A	148 - 153
7	X-RAY DIFFRACTION	7	(chain A and resid 154:159)	A	154 - 159
8	X-RAY DIFFRACTION	8	(chain A and resid 160:171)	A	160 - 171
9	X-RAY DIFFRACTION	9	(chain A and resid 172:177)	A	172 - 177
10	X-RAY DIFFRACTION	10	(chain A and resid 178:184)	A	178 - 184
11	X-RAY DIFFRACTION	11	(chain A and resid 185:195)	A	185 - 195
12	X-RAY DIFFRACTION	12	(chain A and resid 196:205)	A	196 - 205
13	X-RAY DIFFRACTION	13	(chain A and resid 206:212)	A	206 - 212
14	X-RAY DIFFRACTION	14	(chain A and resid 213:221)	A	213 - 221
15	X-RAY DIFFRACTION	15	(chain A and resid 222:230)	A	222 - 230
16	X-RAY DIFFRACTION	16	(chain A and resid 231:236)	A	231 - 236
17	X-RAY DIFFRACTION	17	(chain A and resid 237:244)	A	237 - 244
18	X-RAY DIFFRACTION	18	(chain A and resid 245:254)	A	245 - 254
19	X-RAY DIFFRACTION	19	(chain A and resid 255:264)	A	255 - 264
20	X-RAY DIFFRACTION	20	(chain A and resid 265:271)	A	265 - 271
21	X-RAY DIFFRACTION	21	(chain B and resid 109:116)	B	109 - 116
22	X-RAY DIFFRACTION	22	(chain B and resid 117:124)	B	117 - 124
23	X-RAY DIFFRACTION	23	(chain B and resid 125:139)	B	125 - 139
24	X-RAY DIFFRACTION	24	(chain B and resid 140:145)	B	140 - 145
25	X-RAY DIFFRACTION	25	(chain B and resid 146:151)	B	146 - 151
26	X-RAY DIFFRACTION	26	(chain B and resid 152:157)	B	152 - 157
27	X-RAY DIFFRACTION	27	(chain B and resid 158:163)	B	158 - 163
28	X-RAY DIFFRACTION	28	(chain B and resid 164:170)	B	164 - 170
29	X-RAY DIFFRACTION	29	(chain B and resid 171:176)	B	171 - 176
30	X-RAY DIFFRACTION	30	(chain B and resid 177:187)	B	177 - 187
31	X-RAY DIFFRACTION	31	(chain B and resid 188:205)	B	188 - 205
32	X-RAY DIFFRACTION	32	(chain B and resid 206:212)	B	206 - 212
33	X-RAY DIFFRACTION	33	(chain B and resid 213:220)	B	213 - 220
34	X-RAY DIFFRACTION	34	(chain B and resid 221:230)	B	221 - 230
35	X-RAY DIFFRACTION	35	(chain B and resid 231:236)	B	231 - 236
36	X-RAY DIFFRACTION	36	(chain B and resid 237:242)	B	237 - 242
37	X-RAY DIFFRACTION	37	(chain B and resid 243:247)	B	243 - 247
38	X-RAY DIFFRACTION	38	(chain B and resid 248:252)	B	248 - 252
39	X-RAY DIFFRACTION	39	(chain B and resid 253:258)	B	253 - 258
40	X-RAY DIFFRACTION	40	(chain B and resid 259:271)	B	259 - 271
41	X-RAY DIFFRACTION	41	(chain C and resid 1:4)	C	1 - 4
42	X-RAY DIFFRACTION	42	(chain C and resid 5:8)	C	5 - 8
43	X-RAY DIFFRACTION	43	(chain C and resid 9:14)	C	9 - 14
44	X-RAY DIFFRACTION	44	(chain C and resid 18:21)	C	18 - 21
45	X-RAY DIFFRACTION	45	(chain C and resid 22:25)	C	22 - 25
46	X-RAY DIFFRACTION	46	(chain C and resid 26:29)	C	26 - 29
47	X-RAY DIFFRACTION	47	(chain C and resid 30:33)	C	30 - 33
48	X-RAY DIFFRACTION	48	(chain D and resid 1:5)	D	1 - 5
49	X-RAY DIFFRACTION	49	(chain D and resid 6:11)	D	6 - 11
50	X-RAY DIFFRACTION	50	(chain D and resid 12:15)	D	12 - 15
51	X-RAY DIFFRACTION	51	(chain D and resid 18:21)	D	18 - 21
52	X-RAY DIFFRACTION	52	(chain D and resid 22:25)	D	22 - 25
53	X-RAY DIFFRACTION	53	(chain D and resid 26:29)	D	26 - 29
54	X-RAY DIFFRACTION	54	(chain D and resid 30:33)	D	30 - 33

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