PDB-4z88: SH3-II of Drosophila Rim-binding protein with Aplip1 peptide

Basic information

• Entry: Database: PDB / ID: 4z88
• Title: SH3-II of Drosophila Rim-binding protein with Aplip1 peptide

Components

• JNK-interacting protein 1
• RIM-binding protein, isoform F

• Keywords: RIM-BINDING PROTEIN / Synapse / Active Zone / SH3 domain / Aplip1

Function / homology

Function:

retrograde synaptic vesicle transport / anterograde synaptic vesicle transport / presynaptic active zone organization / Pregnenolone biosynthesis / Serotonin Neurotransmitter Release Cycle / Norepinephrine Neurotransmitter Release Cycle / Glutamate Neurotransmitter Release Cycle / Dopamine Neurotransmitter Release Cycle / Acetylcholine Neurotransmitter Release Cycle / cytoskeletal matrix organization at active zone / cytoskeleton of presynaptic active zone / regulation of terminal button organization / neuromuscular synaptic transmission / multicellular organism development / presynaptic active zone cytoplasmic component / MAP-kinase scaffold activity / axonal transport of mitochondrion / kinesin binding / regulation of JNK cascade / axon cytoplasm / JNK cascade / neuromuscular junction / axon / protein kinase binding / identical protein binding / cytoplasm

Domain/homology:

RIMS-binding protein, second SH3 domain / RIMS-binding protein, third SH3 domain / RIMS-binding protein 1/2/3 / Phosphotyrosine interaction domain (PTB/PID) / Phosphotyrosine interaction domain (PID) profile. / Phosphotyrosine-binding domain, phosphotyrosine-interaction (PI) domain / PTB/PI domain / Variant SH3 domain / Variant SH3 domain / SH3 Domains / Fibronectin type 3 domain / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / SH3 type barrels. / Src homology 3 domains / SH3-like domain superfamily / Src homology 3 (SH3) domain profile. / SH3 domain / PH-like domain superfamily / Roll / Immunoglobulin-like fold / Mainly Beta

Component:

PHOSPHATE ION / RIM-binding protein, isoform F / JNK-interacting protein 1

• Biological species: Drosophila melanogaster (fruit fly)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.09 Å
• Authors: Driller, J.H. / Holton, N. / Siebert, M. / Boehme, M.A. / Wahl, M.C. / Sigrist, S.J. / Loll, B.

Funding support

Germany, 1items

Organization	Grant number	Country
German Research Foundation	SFB958	Germany

• Citation: Journal: Elife / Year: 2015; Title: A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones.; Authors: Siebert, M. / Bohme, M.A. / Driller, J.H. / Babikir, H. / Mampell, M.M. / Rey, U. / Ramesh, N. / Matkovic, T. / Holton, N. / Reddy-Alla, S. / Gottfert, F. / Kamin, D. / Quentin, C. / Klinedinst, S. / Andlauer, T.F. / Hell, S.W. / Collins, C.A. / Wahl, M.C. / Loll, B. / Sigrist, S.J.

History

Deposition	Apr 8, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Aug 5, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jan 10, 2024	Group: Author supporting evidence / Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_audit_support / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_audit_support.funding_organization / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Assembly

Deposited unit

A: RIM-binding protein, isoform F

B: RIM-binding protein, isoform F

C: RIM-binding protein, isoform F

D: RIM-binding protein, isoform F

E: RIM-binding protein, isoform F

F: RIM-binding protein, isoform F

G: RIM-binding protein, isoform F

H: RIM-binding protein, isoform F

I: RIM-binding protein, isoform F

J: RIM-binding protein, isoform F

K: RIM-binding protein, isoform F

L: RIM-binding protein, isoform F

M: JNK-interacting protein 1

N: JNK-interacting protein 1

O: JNK-interacting protein 1

P: JNK-interacting protein 1

Q: JNK-interacting protein 1

R: JNK-interacting protein 1

S: JNK-interacting protein 1

T: JNK-interacting protein 1

U: JNK-interacting protein 1

V: JNK-interacting protein 1

W: JNK-interacting protein 1

X: JNK-interacting protein 1

hetero molecules

Summary:

• 124 kDa, 24 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	123,798	35
Polymers	122,753	24
Non-polymers	1,045	11
Water	1,027	57

1

A: RIM-binding protein, isoform F

M: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

2

B: RIM-binding protein, isoform F

N: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

3

C: RIM-binding protein, isoform F

O: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

4

D: RIM-binding protein, isoform F

P: JNK-interacting protein 1

Summary:

• defined by author
• 10.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,229	2
Polymers	10,229	2
Non-polymers	0	0
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

5

E: RIM-binding protein, isoform F

Q: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

6

F: RIM-binding protein, isoform F

R: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

7

G: RIM-binding protein, isoform F

S: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

8

H: RIM-binding protein, isoform F

T: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

9

I: RIM-binding protein, isoform F

U: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

10

J: RIM-binding protein, isoform F

V: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	18	1

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

11

K: RIM-binding protein, isoform F

W: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

12

L: RIM-binding protein, isoform F

X: JNK-interacting protein 1

hetero molecules

Summary:

• defined by author
• 10.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	10,324	3
Polymers	10,229	2
Non-polymers	95	1
Water	36	2

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Unit cell

Length a, b, c (Å)	108.280, 62.420, 163.640
Angle α, β, γ (deg.)	90.00, 90.27, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
1	2	A
2	2	C
1	3	A
2	3	D
1	4	A
2	4	E
1	5	A
2	5	F
1	6	A
2	6	G
1	7	A
2	7	H
1	8	A
2	8	I
1	9	A
2	9	J
1	10	A
2	10	K
1	11	A
2	11	L
1	12	B
2	12	C
1	13	B
2	13	D
1	14	B
2	14	E
1	15	B
2	15	F
1	16	B
2	16	G
1	17	B
2	17	H
1	18	B
2	18	I
1	19	B
2	19	J
1	20	B
2	20	K
1	21	B
2	21	L
1	22	C
2	22	D
1	23	C
2	23	E
1	24	C
2	24	F
1	25	C
2	25	G
1	26	C
2	26	H
1	27	C
2	27	I
1	28	C
2	28	J
1	29	C
2	29	K
1	30	C
2	30	L
1	31	D
2	31	E
1	32	D
2	32	F
1	33	D
2	33	G
1	34	D
2	34	H
1	35	D
2	35	I
1	36	D
2	36	J
1	37	D
2	37	K
1	38	D
2	38	L
1	39	E
2	39	F
1	40	E
2	40	G
1	41	E
2	41	H
1	42	E
2	42	I
1	43	E
2	43	J
1	44	E
2	44	K
1	45	E
2	45	L
1	46	F
2	46	G
1	47	F
2	47	H
1	48	F
2	48	I
1	49	F
2	49	J
1	50	F
2	50	K
1	51	F
2	51	L
1	52	G
2	52	H
1	53	G
2	53	I
1	54	G
2	54	J
1	55	G
2	55	K
1	56	G
2	56	L
1	57	H
2	57	I
1	58	H
2	58	J
1	59	H
2	59	K
1	60	H
2	60	L
1	61	I
2	61	J
1	62	I
2	62	K
1	63	I
2	63	L
1	64	J
2	64	K
1	65	J
2	65	L
1	66	K
2	66	L
1	67	M
2	67	Q
1	68	M
2	68	S
1	69	M
2	69	U
1	70	M
2	70	W
1	71	Q
2	71	S
1	72	Q
2	72	U
1	73	Q
2	73	W
1	74	S
2	74	U
1	75	S
2	75	W
1	76	U
2	76	W

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-ID	Ens-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
1	1	ARG	ARG	VAL	VAL	A	A	1318 - 1381	9 - 72
2	1	ARG	ARG	VAL	VAL	B	B	1318 - 1381	9 - 72
1	2	ARG	ARG	GLU	GLU	A	A	1318 - 1380	9 - 71
2	2	ARG	ARG	GLU	GLU	C	C	1318 - 1380	9 - 71
1	3	ARG	ARG	VAL	VAL	A	A	1318 - 1381	9 - 72
2	3	ARG	ARG	VAL	VAL	D	D	1318 - 1381	9 - 72
1	4	TYR	TYR	GLU	GLU	A	A	1319 - 1380	10 - 71
2	4	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
1	5	ARG	ARG	SER	SER	A	A	1318 - 1379	9 - 70
2	5	ARG	ARG	SER	SER	F	F	1318 - 1379	9 - 70
1	6	ARG	ARG	GLU	GLU	A	A	1318 - 1380	9 - 71
2	6	ARG	ARG	GLU	GLU	G	G	1318 - 1380	9 - 71
1	7	ARG	ARG	VAL	VAL	A	A	1318 - 1381	9 - 72
2	7	ARG	ARG	VAL	VAL	H	H	1318 - 1381	9 - 72
1	8	ARG	ARG	VAL	VAL	A	A	1318 - 1381	9 - 72
2	8	ARG	ARG	VAL	VAL	I	I	1318 - 1381	9 - 72
1	9	ARG	ARG	GLU	GLU	A	A	1318 - 1380	9 - 71
2	9	ARG	ARG	GLU	GLU	J	J	1318 - 1380	9 - 71
1	10	ARG	ARG	GLU	GLU	A	A	1318 - 1380	9 - 71
2	10	ARG	ARG	GLU	GLU	K	K	1318 - 1380	9 - 71
1	11	ARG	ARG	GLU	GLU	A	A	1318 - 1380	9 - 71
2	11	ARG	ARG	GLU	GLU	L	L	1318 - 1380	9 - 71
1	12	PHE	PHE	GLU	GLU	B	B	1317 - 1380	8 - 71
2	12	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
1	13	PHE	PHE	VAL	VAL	B	B	1317 - 1381	8 - 72
2	13	PHE	PHE	VAL	VAL	D	D	1317 - 1381	8 - 72
1	14	TYR	TYR	GLU	GLU	B	B	1319 - 1380	10 - 71
2	14	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
1	15	PHE	PHE	SER	SER	B	B	1317 - 1379	8 - 70
2	15	PHE	PHE	SER	SER	F	F	1317 - 1379	8 - 70
1	16	PHE	PHE	GLU	GLU	B	B	1317 - 1380	8 - 71
2	16	PHE	PHE	GLU	GLU	G	G	1317 - 1380	8 - 71
1	17	PHE	PHE	VAL	VAL	B	B	1317 - 1381	8 - 72
2	17	PHE	PHE	VAL	VAL	H	H	1317 - 1381	8 - 72
1	18	PHE	PHE	GLU	GLU	B	B	1317 - 1382	8 - 73
2	18	PHE	PHE	GLU	GLU	I	I	1317 - 1382	8 - 73
1	19	PHE	PHE	GLU	GLU	B	B	1317 - 1380	8 - 71
2	19	PHE	PHE	GLU	GLU	J	J	1317 - 1380	8 - 71
1	20	PHE	PHE	GLU	GLU	B	B	1317 - 1380	8 - 71
2	20	PHE	PHE	GLU	GLU	K	K	1317 - 1380	8 - 71
1	21	PHE	PHE	GLU	GLU	B	B	1317 - 1380	8 - 71
2	21	PHE	PHE	GLU	GLU	L	L	1317 - 1380	8 - 71
1	22	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	22	PHE	PHE	GLU	GLU	D	D	1317 - 1380	8 - 71
1	23	TYR	TYR	GLU	GLU	C	C	1319 - 1380	10 - 71
2	23	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
1	24	PHE	PHE	SER	SER	C	C	1317 - 1379	8 - 70
2	24	PHE	PHE	SER	SER	F	F	1317 - 1379	8 - 70
1	25	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	25	PHE	PHE	GLU	GLU	G	G	1317 - 1380	8 - 71
1	26	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	26	PHE	PHE	GLU	GLU	H	H	1317 - 1380	8 - 71
1	27	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	27	PHE	PHE	GLU	GLU	I	I	1317 - 1380	8 - 71
1	28	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	28	PHE	PHE	GLU	GLU	J	J	1317 - 1380	8 - 71
1	29	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	29	PHE	PHE	GLU	GLU	K	K	1317 - 1380	8 - 71
1	30	PHE	PHE	GLU	GLU	C	C	1317 - 1380	8 - 71
2	30	PHE	PHE	GLU	GLU	L	L	1317 - 1380	8 - 71
1	31	TYR	TYR	GLU	GLU	D	D	1319 - 1380	10 - 71
2	31	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
1	32	SER	SER	SER	SER	D	D	1314 - 1379	5 - 70
2	32	SER	SER	SER	SER	F	F	1314 - 1379	5 - 70
1	33	PRO	PRO	GLU	GLU	D	D	1315 - 1380	6 - 71
2	33	PRO	PRO	GLU	GLU	G	G	1315 - 1380	6 - 71
1	34	GLY	GLY	GLU	GLU	D	D	1313 - 1382	4 - 73
2	34	GLY	GLY	GLU	GLU	H	H	1313 - 1382	4 - 73
1	35	PHE	PHE	VAL	VAL	D	D	1317 - 1381	8 - 72
2	35	PHE	PHE	VAL	VAL	I	I	1317 - 1381	8 - 72
1	36	SER	SER	GLU	GLU	D	D	1314 - 1380	5 - 71
2	36	SER	SER	GLU	GLU	J	J	1314 - 1380	5 - 71
1	37	GLU	GLU	GLU	GLU	D	D	1316 - 1380	7 - 71
2	37	GLU	GLU	GLU	GLU	K	K	1316 - 1380	7 - 71
1	38	SER	SER	GLU	GLU	D	D	1314 - 1380	5 - 71
2	38	SER	SER	GLU	GLU	L	L	1314 - 1380	5 - 71
1	39	TYR	TYR	SER	SER	E	E	1319 - 1379	10 - 70
2	39	TYR	TYR	SER	SER	F	F	1319 - 1379	10 - 70
1	40	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	40	TYR	TYR	GLU	GLU	G	G	1319 - 1380	10 - 71
1	41	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	41	TYR	TYR	GLU	GLU	H	H	1319 - 1380	10 - 71
1	42	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	42	TYR	TYR	GLU	GLU	I	I	1319 - 1380	10 - 71
1	43	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	43	TYR	TYR	GLU	GLU	J	J	1319 - 1380	10 - 71
1	44	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	44	TYR	TYR	GLU	GLU	K	K	1319 - 1380	10 - 71
1	45	TYR	TYR	GLU	GLU	E	E	1319 - 1380	10 - 71
2	45	TYR	TYR	GLU	GLU	L	L	1319 - 1380	10 - 71
1	46	PRO	PRO	SER	SER	F	F	1315 - 1379	6 - 70
2	46	PRO	PRO	SER	SER	G	G	1315 - 1379	6 - 70
1	47	SER	SER	SER	SER	F	F	1314 - 1379	5 - 70
2	47	SER	SER	SER	SER	H	H	1314 - 1379	5 - 70
1	48	PHE	PHE	SER	SER	F	F	1317 - 1379	8 - 70
2	48	PHE	PHE	SER	SER	I	I	1317 - 1379	8 - 70
1	49	SER	SER	SER	SER	F	F	1314 - 1379	5 - 70
2	49	SER	SER	SER	SER	J	J	1314 - 1379	5 - 70
1	50	GLU	GLU	SER	SER	F	F	1316 - 1379	7 - 70
2	50	GLU	GLU	SER	SER	K	K	1316 - 1379	7 - 70
1	51	SER	SER	SER	SER	F	F	1314 - 1379	5 - 70
2	51	SER	SER	SER	SER	L	L	1314 - 1379	5 - 70
1	52	PRO	PRO	GLU	GLU	G	G	1315 - 1380	6 - 71
2	52	PRO	PRO	GLU	GLU	H	H	1315 - 1380	6 - 71
1	53	PHE	PHE	GLU	GLU	G	G	1317 - 1380	8 - 71
2	53	PHE	PHE	GLU	GLU	I	I	1317 - 1380	8 - 71
1	54	PRO	PRO	GLU	GLU	G	G	1315 - 1380	6 - 71
2	54	PRO	PRO	GLU	GLU	J	J	1315 - 1380	6 - 71
1	55	GLU	GLU	GLU	GLU	G	G	1316 - 1380	7 - 71
2	55	GLU	GLU	GLU	GLU	K	K	1316 - 1380	7 - 71
1	56	PRO	PRO	GLU	GLU	G	G	1315 - 1380	6 - 71
2	56	PRO	PRO	GLU	GLU	L	L	1315 - 1380	6 - 71
1	57	PHE	PHE	VAL	VAL	H	H	1317 - 1381	8 - 72
2	57	PHE	PHE	VAL	VAL	I	I	1317 - 1381	8 - 72
1	58	SER	SER	GLU	GLU	H	H	1314 - 1380	5 - 71
2	58	SER	SER	GLU	GLU	J	J	1314 - 1380	5 - 71
1	59	GLU	GLU	GLU	GLU	H	H	1316 - 1380	7 - 71
2	59	GLU	GLU	GLU	GLU	K	K	1316 - 1380	7 - 71
1	60	SER	SER	GLU	GLU	H	H	1314 - 1380	5 - 71
2	60	SER	SER	GLU	GLU	L	L	1314 - 1380	5 - 71
1	61	PHE	PHE	GLU	GLU	I	I	1317 - 1380	8 - 71
2	61	PHE	PHE	GLU	GLU	J	J	1317 - 1380	8 - 71
1	62	PHE	PHE	GLU	GLU	I	I	1317 - 1380	8 - 71
2	62	PHE	PHE	GLU	GLU	K	K	1317 - 1380	8 - 71
1	63	PHE	PHE	GLU	GLU	I	I	1317 - 1380	8 - 71
2	63	PHE	PHE	GLU	GLU	L	L	1317 - 1380	8 - 71
1	64	GLU	GLU	GLU	GLU	J	J	1316 - 1380	7 - 71
2	64	GLU	GLU	GLU	GLU	K	K	1316 - 1380	7 - 71
1	65	SER	SER	VAL	VAL	J	J	1314 - 1381	5 - 72
2	65	SER	SER	VAL	VAL	L	L	1314 - 1381	5 - 72
1	66	GLU	GLU	GLU	GLU	K	K	1316 - 1380	7 - 71
2	66	GLU	GLU	GLU	GLU	L	L	1316 - 1380	7 - 71
1	67	ARG	ARG	LYS	LYS	M	M	153 - 163	6 - 16
2	67	ARG	ARG	LYS	LYS	Q	Q	153 - 163	6 - 16
1	68	ARG	ARG	LYS	LYS	M	M	153 - 163	6 - 16
2	68	ARG	ARG	LYS	LYS	S	S	153 - 163	6 - 16
1	69	ARG	ARG	LYS	LYS	M	M	153 - 163	6 - 16
2	69	ARG	ARG	LYS	LYS	U	U	153 - 163	6 - 16
1	70	ARG	ARG	LYS	LYS	M	M	153 - 163	6 - 16
2	70	ARG	ARG	LYS	LYS	W	W	153 - 163	6 - 16
1	71	ARG	ARG	NH2	NH2	Q	Q	151 - 164	4 - 17
2	71	ARG	ARG	NH2	NH2	S	S	151 - 164	4 - 17
1	72	ARG	ARG	LYS	LYS	Q	Q	152 - 163	5 - 16
2	72	ARG	ARG	LYS	LYS	U	U	152 - 163	5 - 16
1	73	ARG	ARG	LYS	LYS	Q	Q	152 - 163	5 - 16
2	73	ARG	ARG	LYS	LYS	W	W	152 - 163	5 - 16
1	74	ARG	ARG	LYS	LYS	S	S	152 - 163	5 - 16
2	74	ARG	ARG	LYS	LYS	U	U	152 - 163	5 - 16
1	75	ARG	ARG	LYS	LYS	S	S	152 - 163	5 - 16
2	75	ARG	ARG	LYS	LYS	W	W	152 - 163	5 - 16
1	76	ARG	ARG	NH2	NH2	U	U	152 - 164	5 - 17
2	76	ARG	ARG	NH2	NH2	W	W	152 - 164	5 - 17

NCS ensembles :

ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76

Components

#1: Protein

A B C D E F G H I J K L
RIM-binding protein, isoform F

Details:

Mass: 8277.036 Da / Num. of mol.: 12 / Fragment: UNP residues 1318-1382
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Drosophila melanogaster (fruit fly) / Gene: Rbp, Dmel_CG43073 / Plasmid: pGex6p1 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0B4JDC9

#2: Protein/peptide

M N O P Q R S T U V W X
JNK-interacting protein 1 / JIP-1 / APP-like-interacting protein 1 / APLIP1 / Protein eye developmental SP512

Details:

Mass: 1952.421 Da / Num. of mol.: 12 / Fragment: UNP residues 149-163 / Source method: obtained synthetically / Details: N-terminal acetylation, C-terminal amidation / Source: (synth.) Drosophila melanogaster (fruit fly) / References: UniProt: Q9W0K0

#3: Chemical

A-1401 B-1401 C-1401 E-1401 F-1401 G-1401 H-1401 I-1401 J-1401 K-1401 L-1401
ChemComp-PO4 / PHOSPHATE ION / Phosphate

Details:

Mass: 94.971 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: PO₄

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 57 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION

Sample preparation

• Crystal: Density Matthews: 2.25 ų/Da / Density % sol: 45.39 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 9 / Details: 100 mM Bicine, 2.2-2.6 M Ammoniumsulfate

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.91841 Å
• Detector: Type: RAYONIX MX-225 / Detector: CCD / Date: Nov 19, 2013
• Radiation: Monochromator: SAGITALLY FOCUSED SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.91841 Å / Relative weight: 1

Reflection twin

Crystal-ID	ID	Operator	Domain-ID	Fraction
1	1	H, K, L	1	0.135
1	1	-1/2H-3/2K, -1/2H+1/2K, -L	2	0.126
1	1	-1/2H+3/2K, 1/2H+1/2K, -L	3	0.146
1	1	1/2H-3/2K, -1/2H-1/2K, -L	4	0.193
1	1	1/2H+3/2K, 1/2H-1/2K, -L	5	0.182
1	1	-h,-k,l	6	0.218

• Reflection: Resolution: 2.09→50 Å / Num. obs: 64269 / % possible obs: 98.9 % / Redundancy: 3.7 % / R_merge(I) obs: 0.1 / Net I/σ(I): 7.7
• Reflection shell: Resolution: 2.09→2.19 Å / Redundancy: 3.7 % / R_merge(I) obs: 0.4 / Mean I/σ(I) obs: 2.6 / % possible all: 92.4

Processing

Software

Name	Version	Classification
REFMAC	5.8.0073	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: 2CSQ

2csq

Resolution: 2.09→45.25 Å / Cor.coef. F_o:F_c: 0.938 / Cor.coef. F_o:F_c free: 0.923 / SU B: 8.475 / SU ML: 0.117 / Cross valid method: THROUGHOUT / ESU R: 0.047 / ESU R Free: 0.038 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.23642	3011	4.7 %	Rfree reflections was generated in P622 and then expanded to C2 to insure equal distribution of the Rfree reflections in all six twin domains
Rwork	0.20881	-	-	-
obs	0.21005	61256	98.55 %	-

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 40.754 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	-2.96 Å2	0 Å2	1.93 Å2
2-	-	12.1 Å2	0 Å2
3-	-	-	-9.14 Å2

Refinement step

Cycle: LAST / Resolution: 2.09→45.25 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7447	0	55	57	7559

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.007	0.019	7719
X-RAY DIFFRACTION	r_bond_other_d	0.005	0.02	6849
X-RAY DIFFRACTION	r_angle_refined_deg	1.224	1.974	10418
X-RAY DIFFRACTION	r_angle_other_deg	1.345	3	15886
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.711	5	889
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	26.386	23.605	430
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	19.63	15	1233
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	17.149	15	67
X-RAY DIFFRACTION	r_chiral_restr	0.068	0.2	968
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.021	8711
X-RAY DIFFRACTION	r_gen_planes_other	0.003	0.02	1812
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
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
X-RAY DIFFRACTION	r_symmetry_vdw_other
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	0.791	2.401	3628
X-RAY DIFFRACTION	r_mcbond_other	0.791	2.401	3627
X-RAY DIFFRACTION	r_mcangle_it	1.359	3.597	4498
X-RAY DIFFRACTION	r_mcangle_other	1.359	3.597	4499
X-RAY DIFFRACTION	r_scbond_it	0.661	2.474	4091
X-RAY DIFFRACTION	r_scbond_other	0.64	2.457	4048
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	1.044	3.654	5854
X-RAY DIFFRACTION	r_long_range_B_refined	2.587	18.807	8127
X-RAY DIFFRACTION	r_long_range_B_other	2.579	18.802	8123
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	3255	0.1
1	2	B	3255	0.1
2	1	A	3268	0.09
2	2	C	3268	0.09
3	1	A	3391	0.07
3	2	D	3391	0.07
4	1	A	3240	0.06
4	2	E	3240	0.06
5	1	A	3212	0.08
5	2	F	3212	0.08
6	1	A	3269	0.08
6	2	G	3269	0.08
7	1	A	3341	0.07
7	2	H	3341	0.07
8	1	A	3338	0.08
8	2	I	3338	0.08
9	1	A	3274	0.07
9	2	J	3274	0.07
10	1	A	3292	0.07
10	2	K	3292	0.07
11	1	A	3311	0.07
11	2	L	3311	0.07
12	1	B	3233	0.11
12	2	C	3233	0.11
13	1	B	3364	0.08
13	2	D	3364	0.08
14	1	B	3121	0.08
14	2	E	3121	0.08
15	1	B	3226	0.09
15	2	F	3226	0.09
16	1	B	3212	0.1
16	2	G	3212	0.1
17	1	B	3390	0.08
17	2	H	3390	0.08
18	1	B	3352	0.09
18	2	I	3352	0.09
19	1	B	3270	0.09
19	2	J	3270	0.09
20	1	B	3259	0.08
20	2	K	3259	0.08
21	1	B	3303	0.08
21	2	L	3303	0.08
22	1	C	3382	0.08
22	2	D	3382	0.08
23	1	C	3226	0.07
23	2	E	3226	0.07
24	1	C	3231	0.1
24	2	F	3231	0.1
25	1	C	3315	0.1
25	2	G	3315	0.1
26	1	C	3290	0.09
26	2	H	3290	0.09
27	1	C	3383	0.08
27	2	I	3383	0.08
28	1	C	3306	0.08
28	2	J	3306	0.08
29	1	C	3366	0.08
29	2	K	3366	0.08
30	1	C	3356	0.09
30	2	L	3356	0.09
31	1	D	3237	0.05
31	2	E	3237	0.05
32	1	D	3414	0.07
32	2	F	3414	0.07
33	1	D	3427	0.07
33	2	G	3427	0.07
34	1	D	3605	0.08
34	2	H	3605	0.08
35	1	D	3482	0.05
35	2	I	3482	0.05
36	1	D	3490	0.05
36	2	J	3490	0.05
37	1	D	3431	0.06
37	2	K	3431	0.06
38	1	D	3538	0.04
38	2	L	3538	0.04
39	1	E	3147	0.06
39	2	F	3147	0.06
40	1	E	3202	0.06
40	2	G	3202	0.06
41	1	E	3203	0.06
41	2	H	3203	0.06
42	1	E	3208	0.06
42	2	I	3208	0.06
43	1	E	3219	0.06
43	2	J	3219	0.06
44	1	E	3234	0.05
44	2	K	3234	0.05
45	1	E	3235	0.05
45	2	L	3235	0.05
46	1	F	3286	0.09
46	2	G	3286	0.09
47	1	F	3398	0.06
47	2	H	3398	0.06
48	1	F	3282	0.07
48	2	I	3282	0.07
49	1	F	3429	0.07
49	2	J	3429	0.07
50	1	F	3283	0.08
50	2	K	3283	0.08
51	1	F	3421	0.06
51	2	L	3421	0.06
52	1	G	3348	0.09
52	2	H	3348	0.09
53	1	G	3329	0.07
53	2	I	3329	0.07
54	1	G	3366	0.08
54	2	J	3366	0.08
55	1	G	3358	0.08
55	2	K	3358	0.08
56	1	G	3396	0.08
56	2	L	3396	0.08
57	1	H	3385	0.07
57	2	I	3385	0.07
58	1	H	3445	0.08
58	2	J	3445	0.08
59	1	H	3340	0.08
59	2	K	3340	0.08
60	1	H	3476	0.06
60	2	L	3476	0.06
61	1	I	3352	0.05
61	2	J	3352	0.05
62	1	I	3386	0.05
62	2	K	3386	0.05
63	1	I	3409	0.05
63	2	L	3409	0.05
64	1	J	3379	0.07
64	2	K	3379	0.07
65	1	J	3534	0.07
65	2	L	3534	0.07
66	1	K	3404	0.06
66	2	L	3404	0.06
67	1	M	519	0.19
67	2	Q	519	0.19
68	1	M	529	0.19
68	2	S	529	0.19
69	1	M	526	0.17
69	2	U	526	0.17
70	1	M	534	0.18
70	2	W	534	0.18
71	1	Q	629	0.21
71	2	S	629	0.21
72	1	Q	586	0.16
72	2	U	586	0.16
73	1	Q	580	0.19
73	2	W	580	0.19
74	1	S	546	0.23
74	2	U	546	0.23
75	1	S	568	0.18
75	2	W	568	0.18
76	1	U	587	0.19
76	2	W	587	0.19

LS refinement shell

Resolution: 2.088→2.142 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.396	180	-
Rwork	0.314	3710	-
obs	-	-	81.81 %

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	0.8066	-0.8015	-0.7247	3.7443	-0.0412	2.026	-0.0398	-0.0148	0.053	-0.0108	-0.0846	-0.2733	-0.2047	0.0038	0.1244	0.0956	-0.0138	-0.0964	0.1676	0.0202	0.1744	-15.0269	-1.6782	-42.5995
2	1.6359	0.6222	0.0341	2.0406	0.0825	1.2325	-0.1134	-0.1557	-0.273	0.1171	0.1285	-0.1671	-0.1353	-0.0387	-0.0151	0.0441	0.0173	-0.0204	0.1895	0.0246	0.2867	-7.1617	-21.4534	-35.0444
3	1.9945	0.5329	-0.0983	0.5212	0.2976	2.4246	0.0061	-0.0443	0.2227	0.0077	0.0255	0.0833	0.077	0.0248	-0.0316	0.0499	-0.0296	-0.0688	0.1697	-0.0018	0.2524	7.0165	-14.2673	-66.1474
4	0.2497	0.169	-0.1077	0.9647	0.6017	3.163	0.0796	0.0012	-0.0089	0.078	0.0055	0.0396	0.0297	0.1064	-0.0851	0.0469	0.0137	-0.0714	0.1956	-0.0167	0.2399	-14.1562	-17.7024	-74.3134
5	2.3833	-2.242	-0.1317	2.3901	0.4838	2.4186	-0.1177	-0.1704	0.1358	0.2219	0.08	-0.3398	-0.0724	0.0705	0.0377	0.0807	-0.0032	-0.139	0.2499	0.006	0.2454	-9.925	-12.8072	-11.1821
6	0.9074	-0.3021	-0.2793	2.3566	0.0261	3.6904	0.0907	-0.1894	0.1578	-0.1342	0.0477	0.1033	-0.0616	-0.0039	-0.1384	0.077	-0.0053	-0.0921	0.1453	-0.0411	0.2056	-22.5015	3.4984	-19.2653
7	3.4862	-0.4671	-1.0449	1.1861	0.2517	1.993	0.0783	-0.0254	-0.0535	0.2234	-0.0483	0.2121	-0.0268	-0.092	-0.03	0.0733	0.0129	-0.0144	0.1952	-0.0087	0.2197	9.1606	12.2695	-11.746
8	1.9245	-0.8841	-1.3286	0.9036	-0.4073	3.1066	0.0524	-0.1283	-0.0799	-0.0555	0.0461	0.0477	0.0057	0.061	-0.0985	0.088	-0.0052	-0.0794	0.1575	0.0436	0.2588	23.1886	-4.0841	-20.699
9	1.9661	-0.4301	0.1477	0.5706	-0.6853	0.9448	0.028	0.0095	-0.173	0.0492	0.005	-0.0087	-0.0235	-0.0408	-0.0331	0.085	-0.0643	-0.0993	0.2006	-0.0026	0.2239	-5.6102	14.4468	-65.9702
10	1.473	-0.0519	-0.1513	1.2452	0.1017	2.1203	0.2316	-0.0077	0.1121	-0.1045	-0.0701	-0.0282	0.0593	-0.1428	-0.1616	0.0891	0.0093	-0.08	0.221	0.0144	0.2308	15.2745	17.9359	-75.0294
11	0.6967	0.1148	-0.0551	3.584	-0.8362	2.3708	0.0278	0.043	-0.0227	-0.1506	-0.0402	0.1724	0.1695	-0.0235	0.0124	0.063	-0.0183	-0.0935	0.1894	0.0069	0.1876	16.1005	1.8518	-43.3338
12	1.3795	-0.6429	0.3188	1.719	0.2226	3.2297	-0.136	-0.1016	0.3579	-0.0227	0.1832	0.1281	0.1829	0.0351	-0.0472	0.0548	0.0144	-0.1158	0.2274	-0.0115	0.2911	8.6128	21.6314	-34.5427
13	5.1477	0.7911	-5.1998	0.3054	-1.4725	7.7292	-0.07	-0.0994	-0.1697	-0.0193	-0.0121	-0.0069	0.0712	0.0515	0.0821	0.1641	-0.0079	-0.0227	0.1439	-0.0197	0.197	-26.3381	-6.3243	-45.6399
14	4.8977	6.4133	-2.8805	10.7971	-1.468	3.9102	0.1984	0.0244	-0.0171	0.1695	-0.0428	-0.2223	-0.1922	-0.1095	-0.1555	0.0417	0.0337	0.0648	0.143	-0.0078	0.3466	4.0768	-22.6982	-39.9828
15	0.5697	-0.5641	0.0682	0.7649	-0.1053	0.0157	-0.0908	-0.0068	-0.2597	0.1666	0.1014	0.0611	-0.0232	-0.029	-0.0106	0.0728	0.05	-0.0808	0.3079	-0.0251	0.382	9.4717	-28.1443	-64.7103
16	1.1633	1.1011	-1.8782	2.6994	0.8693	7.2859	-0.0537	0.2724	0.0814	-0.0042	0.3587	-0.0429	0.0614	-0.2817	-0.305	0.1256	0.0241	-0.1109	0.1831	0.0049	0.1827	-21.276	-12.3051	-64.7231
17	1.6213	2.0138	3.2191	2.5402	4.1165	7.3281	0.0311	-0.0209	0.1265	0.0923	-0.0098	0.1646	0.1201	-0.067	-0.0213	0.1425	0.0576	0.0049	0.1619	-0.0081	0.2236	-18.1162	-19.4987	-6.1106
18	2.7593	0.6071	0.9934	1.1224	-0.7646	1.3374	-0.2354	0.1874	-0.258	-0.3793	0.0418	-0.347	0.2431	0.0312	0.1936	0.2197	-0.0115	-0.01	0.2697	-0.0713	0.2939	-20.6788	12.2878	-11.3293
19	1.8698	1.1293	-2.8064	1.6347	-2.625	5.1225	-0.0391	-0.3032	0.058	-0.0126	0.0084	-0.0762	0.05	0.2847	0.0307	0.1644	0.0092	-0.067	0.1756	-0.0154	0.1444	18.2599	18.741	-6.0808
20	10.1246	3.975	1.9048	6.431	4.7492	3.6495	-0.465	0.0731	0.2424	0.172	0.3365	0.1578	0.2082	0.2654	0.1285	0.1468	0.0445	-0.0571	0.1147	0.0361	0.1785	26.5917	-12.2273	-10.0194
21	2.7769	-1.4299	-0.0779	7.0294	-5.5631	4.9919	0.2876	-0.2164	0.0648	0.7318	0.0879	0.3868	-0.7885	0.0416	-0.3755	0.2292	-0.0032	-0.035	0.1956	-0.0362	0.1598	-7.6179	26.2494	-61.4544
22	2.7564	1.1532	-0.6309	7.8657	-1.3088	0.2924	0.0205	0.1291	-0.0888	0.292	-0.0256	0.0827	-0.0468	-0.0234	0.005	0.0943	0.0464	-0.0947	0.1964	0.0234	0.1683	23.3493	14.4918	-65.8785
23	1.5131	2.1068	2.025	3.4249	3.6563	4.1354	0.0196	0.1878	0.0936	-0.226	0.2535	-0.0992	-0.4028	0.2427	-0.2731	0.1549	-0.0201	0.057	0.2666	0.0577	0.281	27.1785	6.1888	-47.6818
24	8.4229	0.2337	-3.8815	0.0979	-0.6597	5.1767	-0.1812	-0.6687	-0.195	-0.0323	-0.0439	-0.0458	0.2639	0.3033	0.2251	0.0503	0.0327	-0.0748	0.1821	0.0552	0.281	1.6493	27.1826	-43.7169
25	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
26	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
27	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
28	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
29	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
30	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
31	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
32	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
33	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
34	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
35	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
36	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
37	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
38	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
39	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
40	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
41	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
42	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
43	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
44	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
45	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
46	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
47	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0
48	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-0	0.1042	0	0	0.1042	0	0.1042	0	0	0

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	1318 - 1382
2	X-RAY DIFFRACTION	2	B	1317 - 1382
3	X-RAY DIFFRACTION	3	C	1317 - 1381
4	X-RAY DIFFRACTION	4	D	1313 - 1382
5	X-RAY DIFFRACTION	5	E	1319 - 1381
6	X-RAY DIFFRACTION	6	F	1314 - 1380
7	X-RAY DIFFRACTION	7	G	1315 - 1381
8	X-RAY DIFFRACTION	8	H	1313 - 1382
9	X-RAY DIFFRACTION	9	I	1317 - 1382
10	X-RAY DIFFRACTION	10	J	1314 - 1381
11	X-RAY DIFFRACTION	11	K	1316 - 1381
12	X-RAY DIFFRACTION	12	L	1314 - 1381
13	X-RAY DIFFRACTION	13	M	153 - 164
14	X-RAY DIFFRACTION	14	N	155 - 159
15	X-RAY DIFFRACTION	15	O	154 - 164
16	X-RAY DIFFRACTION	16	P	152 - 159
17	X-RAY DIFFRACTION	17	Q	151 - 164
18	X-RAY DIFFRACTION	18	R	153 - 159
19	X-RAY DIFFRACTION	19	S	151 - 164
20	X-RAY DIFFRACTION	20	T	152 - 156
21	X-RAY DIFFRACTION	21	U	152 - 164
22	X-RAY DIFFRACTION	22	V	152 - 158
23	X-RAY DIFFRACTION	23	W	152 - 164
24	X-RAY DIFFRACTION	24	X	152 - 158
25	X-RAY DIFFRACTION	25	A	1318 - 1382
26	X-RAY DIFFRACTION	26	B	1317 - 1382
27	X-RAY DIFFRACTION	27	C	1317 - 1381
28	X-RAY DIFFRACTION	28	D	1313 - 1382
29	X-RAY DIFFRACTION	29	E	1319 - 1381
30	X-RAY DIFFRACTION	30	F	1314 - 1380
31	X-RAY DIFFRACTION	31	G	1315 - 1381
32	X-RAY DIFFRACTION	32	H	1313 - 1382
33	X-RAY DIFFRACTION	33	I	1317 - 1382
34	X-RAY DIFFRACTION	34	J	1314 - 1381
35	X-RAY DIFFRACTION	35	K	1316 - 1381
36	X-RAY DIFFRACTION	36	L	1314 - 1381
37	X-RAY DIFFRACTION	37	M	153 - 164
38	X-RAY DIFFRACTION	38	N	155 - 159
39	X-RAY DIFFRACTION	39	O	154 - 164
40	X-RAY DIFFRACTION	40	P	152 - 159
41	X-RAY DIFFRACTION	41	Q	151 - 164
42	X-RAY DIFFRACTION	42	R	153 - 159
43	X-RAY DIFFRACTION	43	S	151 - 164
44	X-RAY DIFFRACTION	44	T	152 - 156
45	X-RAY DIFFRACTION	45	U	152 - 164
46	X-RAY DIFFRACTION	46	V	152 - 158
47	X-RAY DIFFRACTION	47	W	152 - 164
48	X-RAY DIFFRACTION	48	X	152 - 158