PDB-2xkb: Crystal structure of GDP-form protofilaments of Bacillus thuringi...

ID or keywords:

Entry

Database: PDB / ID: 2xkb

Title

Crystal structure of GDP-form protofilaments of Bacillus thuringiensis serovar israelensis TubZ

Components

FTSZ/TUBULIN-RELATED PROTEIN

Keywords

STRUCTURAL PROTEIN / MOTOR PROTEIN / CYTOSKELETON / CYTOMOTIVE / DNA SEGREGATION / MICROTUBULE / PBTOXIS / PBT156 / REPX / TUBR

Function / homology

Function and homology information

plasmid partitioning / Hydrolases; Acting on acid anhydrides; Acting on GTP to facilitate cellular and subcellular movement / GTPase activity / GTP binding / metal ion binding / identical protein binding / cytoplasm
Similarity search - Function

Biological species

BACILLUS THURINGIENSIS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3 Å

Authors

Aylett, C.H.S. / Lowe, J.

Citation

Journal: Proc Natl Acad Sci U S A / Year: 2010
Title: Filament structure of bacterial tubulin homologue TubZ.
Authors: Christopher H S Aylett / Qing Wang / Katharine A Michie / Linda A Amos / Jan Löwe /

Abstract: Low copy number plasmids often depend on accurate partitioning systems for their continued survival. Generally, such systems consist of a centromere-like region of DNA, a DNA-binding adaptor, and a ...

History

Deposition	Jul 7, 2010	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 10, 2010	Provider: repository / Type: Initial release
Revision 1.1	May 8, 2011	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Jan 24, 2018	Group: Source and taxonomy / Category: entity_src_gen Item: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name ..._entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _entity_src_gen.pdbx_host_org_variant
Revision 1.4	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _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_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 / _struct_conn.pdbx_dist_value / _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_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 / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2xkb.cif.gz	912.2 KB	Display	PDBx/mmCIF format
PDB format	pdb2xkb.ent.gz	756 KB	Display	PDB format
PDBx/mmJSON format	2xkb.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	2xkb_validation.pdf.gz	3.6 MB	Display	wwPDB validaton report
Full document	2xkb_full_validation.pdf.gz	3.7 MB	Display
Data in XML	2xkb_validation.xml.gz	162.6 KB	Display
Data in CIF	2xkb_validation.cif.gz	216.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/xk/2xkb ftp://data.pdbj.org/pub/pdb/validation_reports/xk/2xkb	HTTPS FTP

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Related structure data

Related structure data	1757C 1758C 1759C 1760C 2xkaSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6lvs-3 3lw8-2 3lwn-2 6lvs-4 3lwn-1 5ojh-d 6g8v-d 4b0s-d 2irm-d 3o7p-d 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) 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) 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) 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

2xkaSC

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	#175 - Jul 2014 Microtubules similarity (2) #176 - Aug 2014 Dynein similarity (1) #241 - Jan 2020 Twenty Years of Molecules similarity (1)

Deposited unit

A: FTSZ/TUBULIN-RELATED PROTEIN

B: FTSZ/TUBULIN-RELATED PROTEIN

C: FTSZ/TUBULIN-RELATED PROTEIN

D: FTSZ/TUBULIN-RELATED PROTEIN

E: FTSZ/TUBULIN-RELATED PROTEIN

F: FTSZ/TUBULIN-RELATED PROTEIN

G: FTSZ/TUBULIN-RELATED PROTEIN

H: FTSZ/TUBULIN-RELATED PROTEIN

I: FTSZ/TUBULIN-RELATED PROTEIN

J: FTSZ/TUBULIN-RELATED PROTEIN

K: FTSZ/TUBULIN-RELATED PROTEIN

L: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

583 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

G: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

I: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

C: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

D: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

E: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

F: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

9

J: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

10

K: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

11

L: FTSZ/TUBULIN-RELATED PROTEIN

hetero molecules

defined by author&software
48.6 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

12

H: FTSZ/TUBULIN-RELATED PROTEIN

defined by author&software
48.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	52.947, 541.099, 86.128
Angle α, β, γ (deg.)	90.00, 92.51, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H
9	1	I
10	1	J
11	1	K
12	1	L

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	6	A	3 - 9
2	1	1	6	B	3 - 9
3	1	1	6	C	3 - 9
4	1	1	6	D	3 - 9
5	1	1	6	E	3 - 9
6	1	1	6	F	3 - 9
7	1	1	6	G	3 - 9
8	1	1	6	H	3 - 9
9	1	1	6	I	3 - 9
10	1	1	6	J	3 - 9
11	1	1	6	K	3 - 9
12	1	1	6	L	3 - 9
1	2	1	6	A	11 - 15
2	2	1	6	B	11 - 15
3	2	1	6	C	11 - 15
4	2	1	6	D	11 - 15
5	2	1	6	E	11 - 15
6	2	1	6	F	11 - 15
7	2	1	6	G	11 - 15
8	2	1	6	H	11 - 15
9	2	1	6	I	11 - 15
10	2	1	6	J	11 - 15
11	2	1	6	K	11 - 15
12	2	1	6	L	11 - 15
1	3	1	2	A	17 - 31
2	3	1	2	B	17 - 31
3	3	1	2	C	17 - 31
4	3	1	2	D	17 - 31
5	3	1	2	E	17 - 31
6	3	1	2	F	17 - 31
7	3	1	2	G	17 - 31
8	3	1	2	H	17 - 31
9	3	1	2	I	17 - 31
10	3	1	2	J	17 - 31
11	3	1	2	K	17 - 31
12	3	1	2	L	17 - 31
1	4	1	2	A	33 - 45
2	4	1	2	B	33 - 45
3	4	1	2	C	33 - 45
4	4	1	2	D	33 - 45
5	4	1	2	E	33 - 45
6	4	1	2	F	33 - 45
7	4	1	2	G	33 - 45
8	4	1	2	H	33 - 45
9	4	1	2	I	33 - 45
10	4	1	2	J	33 - 45
11	4	1	2	K	33 - 45
12	4	1	2	L	33 - 45
1	5	1	6	A	46 - 53
2	5	1	6	B	46 - 53
3	5	1	6	C	46 - 53
4	5	1	6	D	46 - 53
5	5	1	6	E	46 - 53
6	5	1	6	F	46 - 53
7	5	1	6	G	46 - 53
8	5	1	6	H	46 - 53
9	5	1	6	I	46 - 53
10	5	1	6	J	46 - 53
11	5	1	6	K	46 - 53
12	5	1	6	L	46 - 53
1	6	1	2	A	54 - 59
2	6	1	2	B	54 - 59
3	6	1	2	C	54 - 59
4	6	1	2	D	54 - 59
5	6	1	2	E	54 - 59
6	6	1	2	F	54 - 59
7	6	1	2	G	54 - 59
8	6	1	2	H	54 - 59
9	6	1	2	I	54 - 59
10	6	1	2	J	54 - 59
11	6	1	2	K	54 - 59
12	6	1	2	L	54 - 59
1	7	1	2	A	69 - 77
2	7	1	2	B	69 - 77
3	7	1	2	C	69 - 77
4	7	1	2	D	69 - 77
5	7	1	2	E	69 - 77
6	7	1	2	F	69 - 77
7	7	1	2	G	69 - 77
8	7	1	2	H	69 - 77
9	7	1	2	I	69 - 77
10	7	1	2	J	69 - 77
11	7	1	2	K	69 - 77
12	7	1	2	L	69 - 77
1	8	1	6	A	91 - 96
2	8	1	6	B	91 - 96
3	8	1	6	C	91 - 96
4	8	1	6	D	91 - 96
5	8	1	6	E	91 - 96
6	8	1	6	F	91 - 96
7	8	1	6	G	91 - 96
8	8	1	6	H	91 - 96
9	8	1	6	I	91 - 96
10	8	1	6	J	91 - 96
11	8	1	6	K	91 - 96
12	8	1	6	L	91 - 96
1	9	1	6	A	109 - 112
2	9	1	6	B	109 - 112
3	9	1	6	C	109 - 112
4	9	1	6	D	109 - 112
5	9	1	6	E	109 - 112
6	9	1	6	F	109 - 112
7	9	1	6	G	109 - 112
8	9	1	6	H	109 - 112
9	9	1	6	I	109 - 112
10	9	1	6	J	109 - 112
11	9	1	6	K	109 - 112
12	9	1	6	L	109 - 112
1	10	1	6	A	114 - 116
2	10	1	6	B	114 - 116
3	10	1	6	C	114 - 116
4	10	1	6	D	114 - 116
5	10	1	6	E	114 - 116
6	10	1	6	F	114 - 116
7	10	1	6	G	114 - 116
8	10	1	6	H	114 - 116
9	10	1	6	I	114 - 116
10	10	1	6	J	114 - 116
11	10	1	6	K	114 - 116
12	10	1	6	L	114 - 116
1	11	1	2	A	126 - 144
2	11	1	2	B	126 - 144
3	11	1	2	C	126 - 144
4	11	1	2	D	126 - 144
5	11	1	2	E	126 - 144
6	11	1	2	F	126 - 144
7	11	1	2	G	126 - 144
8	11	1	2	H	126 - 144
9	11	1	2	I	126 - 144
10	11	1	2	J	126 - 144
11	11	1	2	K	126 - 144
12	11	1	2	L	126 - 144
1	12	1	2	A	146 - 157
2	12	1	2	B	146 - 157
3	12	1	2	C	146 - 157
4	12	1	2	D	146 - 157
5	12	1	2	E	146 - 157
6	12	1	2	F	146 - 157
7	12	1	2	G	146 - 157
8	12	1	2	H	146 - 157
9	12	1	2	I	146 - 157
10	12	1	2	J	146 - 157
11	12	1	2	K	146 - 157
12	12	1	2	L	146 - 157
1	13	1	6	A	158 - 160
2	13	1	6	B	158 - 160
3	13	1	6	C	158 - 160
4	13	1	6	D	158 - 160
5	13	1	6	E	158 - 160
6	13	1	6	F	158 - 160
7	13	1	6	G	158 - 160
8	13	1	6	H	158 - 160
9	13	1	6	I	158 - 160
10	13	1	6	J	158 - 160
11	13	1	6	K	158 - 160
12	13	1	6	L	158 - 160
1	14	1	2	A	161 - 175
2	14	1	2	B	161 - 175
3	14	1	2	C	161 - 175
4	14	1	2	D	161 - 175
5	14	1	2	E	161 - 175
6	14	1	2	F	161 - 175
7	14	1	2	G	161 - 175
8	14	1	2	H	161 - 175
9	14	1	2	I	161 - 175
10	14	1	2	J	161 - 175
11	14	1	2	K	161 - 175
12	14	1	2	L	161 - 175
1	15	1	2	A	179 - 187
2	15	1	2	B	179 - 187
3	15	1	2	C	179 - 187
4	15	1	2	D	179 - 187
5	15	1	2	E	179 - 187
6	15	1	2	F	179 - 187
7	15	1	2	G	179 - 187
8	15	1	2	H	179 - 187
9	15	1	2	I	179 - 187
10	15	1	2	J	179 - 187
11	15	1	2	K	179 - 187
12	15	1	2	L	179 - 187
1	16	1	2	A	189 - 191
2	16	1	2	B	189 - 191
3	16	1	2	C	189 - 191
4	16	1	2	D	189 - 191
5	16	1	2	E	189 - 191
6	16	1	2	F	189 - 191
7	16	1	2	G	189 - 191
8	16	1	2	H	189 - 191
9	16	1	2	I	189 - 191
10	16	1	2	J	189 - 191
11	16	1	2	K	189 - 191
12	16	1	2	L	189 - 191
1	17	1	2	A	193 - 220
2	17	1	2	B	193 - 220
3	17	1	2	C	193 - 220
4	17	1	2	D	193 - 220
5	17	1	2	E	193 - 220
6	17	1	2	F	193 - 220
7	17	1	2	G	193 - 220
8	17	1	2	H	193 - 220
9	17	1	2	I	193 - 220
10	17	1	2	J	193 - 220
11	17	1	2	K	193 - 220
12	17	1	2	L	193 - 220
1	18	1	2	A	222 - 223
2	18	1	2	B	222 - 223
3	18	1	2	C	222 - 223
4	18	1	2	D	222 - 223
5	18	1	2	E	222 - 223
6	18	1	2	F	222 - 223
7	18	1	2	G	222 - 223
8	18	1	2	H	222 - 223
9	18	1	2	I	222 - 223
10	18	1	2	J	222 - 223
11	18	1	2	K	222 - 223
12	18	1	2	L	222 - 223
1	19	1	2	A	239 - 255
2	19	1	2	B	239 - 255
3	19	1	2	C	239 - 255
4	19	1	2	D	239 - 255
5	19	1	2	E	239 - 255
6	19	1	2	F	239 - 255
7	19	1	2	G	239 - 255
8	19	1	2	H	239 - 255
9	19	1	2	I	239 - 255
10	19	1	2	J	239 - 255
11	19	1	2	K	239 - 255
12	19	1	2	L	239 - 255
1	20	1	6	A	256 - 262
2	20	1	6	B	256 - 262
3	20	1	6	C	256 - 262
4	20	1	6	D	256 - 262
5	20	1	6	E	256 - 262
6	20	1	6	F	256 - 262
7	20	1	6	G	256 - 262
8	20	1	6	H	256 - 262
9	20	1	6	I	256 - 262
10	20	1	6	J	256 - 262
11	20	1	6	K	256 - 262
12	20	1	6	L	256 - 262
1	21	1	2	A	266 - 287
2	21	1	2	B	266 - 287
3	21	1	2	C	266 - 287
4	21	1	2	D	266 - 287
5	21	1	2	E	266 - 287
6	21	1	2	F	266 - 287
7	21	1	2	G	266 - 287
8	21	1	2	H	266 - 287
9	21	1	2	I	266 - 287
10	21	1	2	J	266 - 287
11	21	1	2	K	266 - 287
12	21	1	2	L	266 - 287
1	22	1	2	A	294 - 296
2	22	1	2	B	294 - 296
3	22	1	2	C	294 - 296
4	22	1	2	D	294 - 296
5	22	1	2	E	294 - 296
6	22	1	2	F	294 - 296
7	22	1	2	G	294 - 296
8	22	1	2	H	294 - 296
9	22	1	2	I	294 - 296
10	22	1	2	J	294 - 296
11	22	1	2	K	294 - 296
12	22	1	2	L	294 - 296
1	23	1	6	A	298 - 299
2	23	1	6	B	298 - 299
3	23	1	6	C	298 - 299
4	23	1	6	D	298 - 299
5	23	1	6	E	298 - 299
6	23	1	6	F	298 - 299
7	23	1	6	G	298 - 299
8	23	1	6	H	298 - 299
9	23	1	6	I	298 - 299
10	23	1	6	J	298 - 299
11	23	1	6	K	298 - 299
12	23	1	6	L	298 - 299
1	24	1	2	A	300 - 301
2	24	1	2	B	300 - 301
3	24	1	2	C	300 - 301
4	24	1	2	D	300 - 301
5	24	1	2	E	300 - 301
6	24	1	2	F	300 - 301
7	24	1	2	G	300 - 301
8	24	1	2	H	300 - 301
9	24	1	2	I	300 - 301
10	24	1	2	J	300 - 301
11	24	1	2	K	300 - 301
12	24	1	2	L	300 - 301
1	25	1	2	A	303 - 326
2	25	1	2	B	303 - 326
3	25	1	2	C	303 - 326
4	25	1	2	D	303 - 326
5	25	1	2	E	303 - 326
6	25	1	2	F	303 - 326
7	25	1	2	G	303 - 326
8	25	1	2	H	303 - 326
9	25	1	2	I	303 - 326
10	25	1	2	J	303 - 326
11	25	1	2	K	303 - 326
12	25	1	2	L	303 - 326
1	26	1	6	A	345 - 351
2	26	1	6	B	345 - 351
3	26	1	6	C	345 - 351
4	26	1	6	D	345 - 351
5	26	1	6	E	345 - 351
6	26	1	6	F	345 - 351
7	26	1	6	G	345 - 351
8	26	1	6	H	345 - 351
9	26	1	6	I	345 - 351
10	26	1	6	J	345 - 351
11	26	1	6	K	345 - 351
12	26	1	6	L	345 - 351
1	27	1	6	A	356 - 358
2	27	1	6	B	356 - 358
3	27	1	6	C	356 - 358
4	27	1	6	D	356 - 358
5	27	1	6	E	356 - 358
6	27	1	6	F	356 - 358
7	27	1	6	G	356 - 358
8	27	1	6	H	356 - 358
9	27	1	6	I	356 - 358
10	27	1	6	J	356 - 358
11	27	1	6	K	356 - 358
12	27	1	6	L	356 - 358
1	28	1	2	A	359
2	28	1	2	B	359
3	28	1	2	C	359
4	28	1	2	D	359
5	28	1	2	E	359
6	28	1	2	F	359
7	28	1	2	G	359
8	28	1	2	H	359
9	28	1	2	I	359
10	28	1	2	J	359
11	28	1	2	K	359
12	28	1	2	L	359
1	29	1	2	A	371 - 389
2	29	1	2	B	371 - 389
3	29	1	2	C	371 - 389
4	29	1	2	D	371 - 389
5	29	1	2	E	371 - 389
6	29	1	2	F	371 - 389
7	29	1	2	G	371 - 389
8	29	1	2	H	371 - 389
9	29	1	2	I	371 - 389
10	29	1	2	J	371 - 389
11	29	1	2	K	371 - 389
12	29	1	2	L	371 - 389
1	30	1	6	A	422 - 423
2	30	1	6	B	422 - 423
3	30	1	6	C	422 - 423
4	30	1	6	D	422 - 423
5	30	1	6	E	422 - 423
6	30	1	6	F	422 - 423
7	30	1	6	G	422 - 423
8	30	1	6	H	422 - 423
9	30	1	6	I	422 - 423
10	30	1	6	J	422 - 423
11	30	1	6	K	422 - 423
12	30	1	6	L	422 - 423

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.89802, 0.02137, 0.43943), (-0.0205, 0.99977, -0.00673), (-0.43947, -0.00296, 0.89825)	-12.5903, 45.06946, 12.94918
2	given	(0.56869, 0.07205, 0.81939), (-0.17927, 0.98307, 0.03798), (-0.80278, -0.16849, 0.57197)	-12.53216, 88.26635, 2.32737
3	given	(0.04385, 0.10706, 0.99329), (0.11704, 0.98684, -0.11153), (-0.99216, 0.12115, 0.03074)	2.29364, 135.62364, 78.67007
4	given	(-0.46945, -0.03331, 0.88233), (-0.02263, 0.99941, 0.02569), (-0.88267, -0.0079, -0.46993)	-4.80173, 179.87668, 79.02351
5	given	(-0.90328, 0.03923, 0.42725), (0.0456, 0.99895, 0.00468), (-0.42662, 0.02371, -0.90412)	34.71331, 224.83568, 94.57782
6	given	(-0.97619, -0.17745, 0.12475), (0.18432, -0.9818, 0.04581), (0.11435, 0.06771, 0.99113)	-22.0092, -357.97769, 51.69743
7	given	(-0.80099, -0.15996, 0.57691), (0.16406, -0.9854, -0.04545), (0.57576, 0.05824, 0.81554)	-34.87587, -310.46362, 45.08197
8	given	(-0.42407, 0.08997, 0.90115), (-0.01253, -0.99554, 0.0935), (0.90554, 0.02836, 0.4233)	-11.7969, -268.72101, 47.45787
9	given	(0.05574, 0.10081, 0.99334), (-0.0455, -0.9936, 0.10339), (0.99741, -0.05096, -0.0508)	-28.28452, -224.11324, 52.81866
10	given	(0.57212, 0.01176, 0.82009), (0.03685, -0.99926, -0.01138), (0.81934, 0.03673, -0.57212)	-48.91411, -176.17578, 94.78973
11	given	(0.8987, -0.09358, 0.42846), (-0.14566, -0.9852, 0.09036), (0.41366, -0.14362, -0.89903)	-53.80582, -129.3215, 88.81581

#1: Protein	FTSZ/TUBULIN-RELATED PROTEIN / TUBZ Mass: 48158.918 Da / Num. of mol.: 12 / Fragment: RESIDUES 1-421 / Mutation: YES Source method: isolated from a genetically manipulated source Details: L2V, DELTA422-484 C-TERMINAL HIS6 GDP MG / Source: (gene. exp.) BACILLUS THURINGIENSIS (bacteria) / Strain: SEROVAR ISRAELENSIS / Description: J. POGLIANO LABORATORY UCSD / Plasmid: PET28A / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / Variant (production host): C41 / References: UniProt: Q8KNP3
#2: Chemical	ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₁P₂ / Comment: GDP, energy-carrying molecule*YM
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
Compound details	ENGINEERED RESIDUE IN CHAIN A, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN B, LEU 2 TO VAL ENGINEERED ...ENGINEERED RESIDUE IN CHAIN A, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN B, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN C, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN D, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN E, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN F, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN G, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN H, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN I, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN J, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN K, LEU 2 TO VAL ENGINEERED RESIDUE IN CHAIN L, LEU 2 TO VAL
Sequence details	L2V, DELTA 422-484, C-TERMINAL HIS6 TAG

-
Experiment

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

-
Sample preparation

Crystal	Density Matthews: 2.13 Å³/Da / Density % sol: 42.33 % / Description: NONE
Crystal grow	pH: 8.5 / Details: TRISCL PH 8.5 200 MM MGCL2 30% PEG4000

-
Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1.5
Detector	Type: ADSC CCD / Detector: CCD / Date: Feb 22, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.5 Å / Relative weight: 1
Reflection	Resolution: 3→77.66 Å / Num. obs: 89306 / % possible obs: 92.9 % / Observed criterion σ(I): 2 / Redundancy: 7 % / B_iso Wilson estimate: 71.9 Å² / R_merge(I) obs: 0.13 / R_sym value: 0.128 / Net I/σ(I): 10.2
Reflection shell	Resolution: 3→3.16 Å / Redundancy: 5 % / R_merge(I) obs: 0.5 / Mean I/σ(I) obs: 2.5 / R_sym value: 0.505 / % possible all: 65.4

-
Processing

Software

Name	Version	Classification
REFMAC	5.5.0109	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2XKA

2xka

Resolution: 3→50 Å / Cor.coef. F_o:F_c: 0.91 / Cor.coef. F_o:F_c free: 0.853 / SU B: 27.855 / SU ML: 0.504 / Cross valid method: THROUGHOUT / ESU R Free: 0.615 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29431	4461	5 %	RANDOM
R_work	0.23432	-	-	-
obs	0.23729	84737	92.9 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 56.301 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	7.59 Å²	0 Å²	-2.69 Å²
2-	-	-7.98 Å²	0 Å²
3-	-	-	0.15 Å²

Refinement step

Cycle: LAST / Resolution: 3→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	37565	0	312	0	37877

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.01	0.022	38607
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.229	1.962	52259
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.963	5	4699
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	41.684	25.183	1993
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	17.731	15	6649
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	18.557	15	216
X-RAY DIFFRACTION	r_chiral_restr	0.085	0.2	5707
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	29569
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.147	0.2	1234
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.321	0.2	211
X-RAY DIFFRACTION	r_symmetry_vdw_other	0.458	0.2	13
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.56	3.5	23471
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.041	4	37835
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.772	5	15136
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.383	6.5	14424
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	844	tight positional	0.04	0.05
2	B	844	tight positional	0.03	0.05
3	C	844	tight positional	0.04	0.05
4	D	844	tight positional	0.04	0.05
5	E	844	tight positional	0.03	0.05
6	F	844	tight positional	0.04	0.05
7	G	844	tight positional	0.03	0.05
8	H	844	tight positional	0.04	0.05
9	I	844	tight positional	0.03	0.05
10	J	844	tight positional	0.03	0.05
11	K	844	tight positional	0.03	0.05
12	L	844	tight positional	0.03	0.05
1	A	796	medium positional	0.04	0.5
2	B	796	medium positional	0.04	0.5
3	C	796	medium positional	0.04	0.5
4	D	796	medium positional	0.07	0.5
5	E	796	medium positional	0.04	0.5
6	F	796	medium positional	0.05	0.5
7	G	796	medium positional	0.04	0.5
8	H	796	medium positional	0.04	0.5
9	I	796	medium positional	0.04	0.5
10	J	796	medium positional	0.04	0.5
11	K	796	medium positional	0.04	0.5
12	L	796	medium positional	0.04	0.5
1	A	374	loose positional	0.05	5
2	B	374	loose positional	0.04	5
3	C	374	loose positional	0.04	5
4	D	374	loose positional	0.04	5
5	E	374	loose positional	0.04	5
6	F	374	loose positional	0.04	5
7	G	374	loose positional	0.04	5
8	H	374	loose positional	0.04	5
9	I	374	loose positional	0.04	5
10	J	374	loose positional	0.03	5
11	K	374	loose positional	0.03	5
12	L	374	loose positional	0.04	5
1	A	844	tight thermal	0.07	0.5
2	B	844	tight thermal	0.09	0.5
3	C	844	tight thermal	0.06	0.5
4	D	844	tight thermal	0.06	0.5
5	E	844	tight thermal	0.06	0.5
6	F	844	tight thermal	0.07	0.5
7	G	844	tight thermal	0.1	0.5
8	H	844	tight thermal	0.08	0.5
9	I	844	tight thermal	0.08	0.5
10	J	844	tight thermal	0.07	0.5
11	K	844	tight thermal	0.07	0.5
12	L	844	tight thermal	0.08	0.5
1	A	796	medium thermal	0.06	2
2	B	796	medium thermal	0.06	2
3	C	796	medium thermal	0.05	2
4	D	796	medium thermal	0.05	2
5	E	796	medium thermal	0.05	2
6	F	796	medium thermal	0.05	2
7	G	796	medium thermal	0.07	2
8	H	796	medium thermal	0.06	2
9	I	796	medium thermal	0.06	2
10	J	796	medium thermal	0.05	2
11	K	796	medium thermal	0.05	2
12	L	796	medium thermal	0.06	2
1	A	374	loose thermal	0.07	10
2	B	374	loose thermal	0.09	10
3	C	374	loose thermal	0.06	10
4	D	374	loose thermal	0.05	10
5	E	374	loose thermal	0.06	10
6	F	374	loose thermal	0.06	10
7	G	374	loose thermal	0.1	10
8	H	374	loose thermal	0.07	10
9	I	374	loose thermal	0.07	10
10	J	374	loose thermal	0.06	10
11	K	374	loose thermal	0.07	10
12	L	374	loose thermal	0.08	10

LS refinement shell

Resolution: 3→3.078 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.412	199	-
R_work	0.347	4107	-
obs	-	-	60.59 %

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