PDB-4wsn: Crystal structure of the COP9 signalosome, a P1 crystal form

基本情報

• 登録情報: データベース: PDB / ID: 4wsn
• タイトル: Crystal structure of the COP9 signalosome, a P1 crystal form
• 要素: (COP9 signalosome complex subunit ...) x 8
• キーワード: SIGNALING PROTEIN / hydrolase

機能・相同性

分子機能:

COP9 signalosome assembly / trophectodermal cell proliferation / macrophage migration inhibitory factor binding / regulation of IRE1-mediated unfolded protein response / exosomal secretion / GTPase inhibitor activity / deNEDDylase activity / protein deneddylation / regulation of protein neddylation / eukaryotic translation initiation factor 3 complex / activation of NF-kappaB-inducing kinase activity / COP9 signalosome / protein neddylation / regulation of JNK cascade / 加水分解酵素; プロテアーゼ; ペプチド結合加水分解酵素 / metal-dependent deubiquitinase activity / RHOBTB1 GTPase cycle / regulation of DNA damage response, signal transduction by p53 class mediator / inner cell mass cell proliferation / skeletal muscle cell differentiation / response to light stimulus / JNK cascade / translation initiation factor activity / post-translational protein modification / positive regulation of DNA-binding transcription factor activity / DNA Damage Recognition in GG-NER / Formation of TC-NER Pre-Incision Complex / neuron differentiation / metallopeptidase activity / transcription corepressor activity / cell junction / synaptic vesicle / Cargo recognition for clathrin-mediated endocytosis / Neddylation / ubiquitin-dependent protein catabolic process / in utero embryonic development / transcription by RNA polymerase II / transcription coactivator activity / regulation of cell cycle / nuclear speck / protein phosphorylation / translation / negative regulation of cell population proliferation / negative regulation of apoptotic process / chromatin / perinuclear region of cytoplasm / enzyme binding / negative regulation of transcription by RNA polymerase II / signal transduction / positive regulation of transcription by RNA polymerase II / proteolysis / extracellular exosome / nucleoplasm / metal ion binding / nucleus / cytosol / cytoplasm

ドメイン・相同性:

COP9 signalosome, subunit CSN8 / COP9 signalosome complex subunit 7, helix I / : / : / COP9 signalosome complex subunit 7a helix I domain / COP9 signalosome complex subunit 3-like, C-terminal helix / CSN7 helical bundle subdomain / COP9 signalosome complex subunit 3, N-terminal helical repeats / COP9 signalosome subunit 6 / : / COP9 signalosome complex subunit 1, C-terminal helix / Cop9 signalosome subunit 5 C-terminal domain / COP9 signalosome complex subunit 4, helix turn helix domain / Cop9 signalosome subunit 5 C-terminal domain / CSN4/RPN5/eIF3a helix turn helix domain / Eukaryotic translation initiation factor 3 subunit M eIF3m/COP9 signalosome complex subunit 7 COPS7 / : / : / : / PSMD12/CSN4, N-terminal / 26S proteasome regulatory subunit Rpn7/COP9 signalosome complex subunit 1 / 26S proteasome regulatory subunit Rpn7, N-terminal / 26S proteasome subunit RPN7 / 26S Proteasome non-ATPase regulatory subunit 12/COP9 signalosome complex subunit 4 / PCI/PINT associated module / CSN8/PSMD8/EIF3K / CSN8/PSMD8/EIF3K family / Rpn11/EIF3F, C-terminal / Maintenance of mitochondrial structure and function / : / motif in proteasome subunits, Int-6, Nip-1 and TRIP-15 / PCI domain / Proteasome component (PCI) domain / PCI domain profile. / JAB1/Mov34/MPN/PAD-1 ubiquitin protease / JAB/MPN domain / JAB1/MPN/MOV34 metalloenzyme domain / MPN domain / MPN domain profile. / Tetratricopeptide-like helical domain superfamily / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily

構成要素:

COP9 signalosome complex subunit 2 / COP9 signalosome complex subunit 1 / COP9 signalosome complex subunit 6 / COP9 signalosome complex subunit 5 / COP9 signalosome complex subunit 8 / COP9 signalosome complex subunit 4 / COP9 signalosome complex subunit 7a / COP9 signalosome complex subunit 3

• 生物種: Homo sapiens (ヒト)
• 手法: X線回折 / シンクロトロン / 分子置換 / 解像度: 5.5 Å
• データ登録者: Bunker, R.D. / Lingaraju, G.M. / Thoma, N.H.
• 引用: ジャーナル: Nature / 年: 2016; タイトル: Cullin-RING ubiquitin E3 ligase regulation by the COP9 signalosome.; 著者: Simone Cavadini / Eric S Fischer / Richard D Bunker / Alessandro Potenza / Gondichatnahalli M Lingaraju / Kenneth N Goldie / Weaam I Mohamed / Mahamadou Faty / Georg Petzold / Rohan E J Beckwith / Ritesh B Tichkule / Ulrich Hassiepen / Wassim Abdulrahman / Radosav S Pantelic / Syota Matsumoto / Kaoru Sugasawa / Henning Stahlberg / Nicolas H Thomä / ; 要旨: The cullin-RING ubiquitin E3 ligase (CRL) family comprises over 200 members in humans. The COP9 signalosome complex (CSN) regulates CRLs by removing their ubiquitin-like activator NEDD8. The CUL4A-RBX1-DDB1-DDB2 complex (CRL4A(DDB2)) monitors the genome for ultraviolet-light-induced DNA damage. CRL4A(DBB2) is inactive in the absence of damaged DNA and requires CSN to regulate the repair process. The structural basis of CSN binding to CRL4A(DDB2) and the principles of CSN activation are poorly understood. Here we present cryo-electron microscopy structures for CSN in complex with neddylated CRL4A ligases to 6.4 Å resolution. The CSN conformers defined by cryo-electron microscopy and a novel apo-CSN crystal structure indicate an induced-fit mechanism that drives CSN activation by neddylated CRLs. We find that CSN and a substrate cannot bind simultaneously to CRL4A, favouring a deneddylated, inactive state for substrate-free CRL4 complexes. These architectural and regulatory principles appear conserved across CRL families, allowing global regulation by CSN.

履歴

登録	2014年10月28日	登録サイト: RCSB / 処理サイト: PDBE
改定 1.0	2015年12月23日	Provider: repository / タイプ: Initial release
改定 1.1	2016年4月6日	Group: Database references
改定 1.2	2016年4月13日	Group: Database references
改定 1.3	2019年3月27日	Group: Data collection / Source and taxonomy / カテゴリ: entity_src_gen Item: _entity_src_gen.pdbx_host_org_cell_line / _entity_src_gen.pdbx_host_org_strain
改定 1.4	2024年1月10日	Group: Data collection / Database references / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _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

集合体

登録構造単位

A: COP9 signalosome complex subunit 1

B: COP9 signalosome complex subunit 2

C: COP9 signalosome complex subunit 3

D: COP9 signalosome complex subunit 4

E: COP9 signalosome complex subunit 5

F: COP9 signalosome complex subunit 6

G: COP9 signalosome complex subunit 7a

H: COP9 signalosome complex subunit 8

I: COP9 signalosome complex subunit 1

J: COP9 signalosome complex subunit 2

K: COP9 signalosome complex subunit 3

L: COP9 signalosome complex subunit 4

M: COP9 signalosome complex subunit 5

N: COP9 signalosome complex subunit 6

O: COP9 signalosome complex subunit 7a

P: COP9 signalosome complex subunit 8

Q: COP9 signalosome complex subunit 1

R: COP9 signalosome complex subunit 2

S: COP9 signalosome complex subunit 3

T: COP9 signalosome complex subunit 4

U: COP9 signalosome complex subunit 5

V: COP9 signalosome complex subunit 6

W: COP9 signalosome complex subunit 7a

X: COP9 signalosome complex subunit 8

Y: COP9 signalosome complex subunit 1

Z: COP9 signalosome complex subunit 2

a: COP9 signalosome complex subunit 3

b: COP9 signalosome complex subunit 4

c: COP9 signalosome complex subunit 5

d: COP9 signalosome complex subunit 6

e: COP9 signalosome complex subunit 7a

f: COP9 signalosome complex subunit 8

g: COP9 signalosome complex subunit 1

h: COP9 signalosome complex subunit 2

i: COP9 signalosome complex subunit 3

j: COP9 signalosome complex subunit 4

k: COP9 signalosome complex subunit 5

l: COP9 signalosome complex subunit 6

m: COP9 signalosome complex subunit 7a

n: COP9 signalosome complex subunit 8

o: COP9 signalosome complex subunit 1

p: COP9 signalosome complex subunit 2

q: COP9 signalosome complex subunit 3

r: COP9 signalosome complex subunit 4

s: COP9 signalosome complex subunit 5

t: COP9 signalosome complex subunit 6

u: COP9 signalosome complex subunit 7a

v: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 1.94 MDa, 48 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	1,935,486	54
ポリマ－	1,935,093	48
非ポリマー	392	6
水	0	0

1

A: COP9 signalosome complex subunit 1

B: COP9 signalosome complex subunit 2

C: COP9 signalosome complex subunit 3

D: COP9 signalosome complex subunit 4

E: COP9 signalosome complex subunit 5

F: COP9 signalosome complex subunit 6

G: COP9 signalosome complex subunit 7a

H: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37230 Å2
ΔGint	-257 kcal/mol
Surface area	121770 Å2
手法	PISA

2

I: COP9 signalosome complex subunit 1

J: COP9 signalosome complex subunit 2

K: COP9 signalosome complex subunit 3

L: COP9 signalosome complex subunit 4

M: COP9 signalosome complex subunit 5

N: COP9 signalosome complex subunit 6

O: COP9 signalosome complex subunit 7a

P: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37070 Å2
ΔGint	-256 kcal/mol
Surface area	121810 Å2
手法	PISA

3

Q: COP9 signalosome complex subunit 1

R: COP9 signalosome complex subunit 2

S: COP9 signalosome complex subunit 3

T: COP9 signalosome complex subunit 4

U: COP9 signalosome complex subunit 5

V: COP9 signalosome complex subunit 6

W: COP9 signalosome complex subunit 7a

X: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37320 Å2
ΔGint	-259 kcal/mol
Surface area	121690 Å2
手法	PISA

4

Y: COP9 signalosome complex subunit 1

Z: COP9 signalosome complex subunit 2

a: COP9 signalosome complex subunit 3

b: COP9 signalosome complex subunit 4

c: COP9 signalosome complex subunit 5

d: COP9 signalosome complex subunit 6

e: COP9 signalosome complex subunit 7a

f: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37060 Å2
ΔGint	-255 kcal/mol
Surface area	121730 Å2
手法	PISA

5

g: COP9 signalosome complex subunit 1

h: COP9 signalosome complex subunit 2

i: COP9 signalosome complex subunit 3

j: COP9 signalosome complex subunit 4

k: COP9 signalosome complex subunit 5

l: COP9 signalosome complex subunit 6

m: COP9 signalosome complex subunit 7a

n: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37410 Å2
ΔGint	-256 kcal/mol
Surface area	121410 Å2
手法	PISA

6

o: COP9 signalosome complex subunit 1

p: COP9 signalosome complex subunit 2

q: COP9 signalosome complex subunit 3

r: COP9 signalosome complex subunit 4

s: COP9 signalosome complex subunit 5

t: COP9 signalosome complex subunit 6

u: COP9 signalosome complex subunit 7a

v: COP9 signalosome complex subunit 8

ヘテロ分子

概要:

• 登録者・ソフトウェアが定義した集合体
• 323 kDa, 8 ポリマー

構成要素の詳細:

	分子量 (理論値)	分子数
合計 (水以外)	322,581	9
ポリマ－	322,516	8
非ポリマー	65	1
水	0

対称操作:

タイプ	名称	対称操作	数
identity operation	1_555	x,y,z	1

計算値:

Buried area	37560 Å2
ΔGint	-258 kcal/mol
Surface area	121280 Å2
手法	PISA

単位格子

Length a, b, c (Å)	150.638, 150.983, 336.720
Angle α, β, γ (deg.)	92.340, 92.620, 119.880
Int Tables number	1
Space group name H-M	P1

非結晶学的対称性 (NCS)

NCSドメイン:

ID	Ens-ID	詳細
1	1	A
2	1	I
1	2	A
2	2	Q
1	3	A
2	3	Y
1	4	A
2	4	g
1	5	A
2	5	o
1	6	B
2	6	J
1	7	B
2	7	R
1	8	B
2	8	Z
1	9	B
2	9	h
1	10	B
2	10	p
1	11	C
2	11	K
1	12	C
2	12	S
1	13	C
2	13	a
1	14	C
2	14	i
1	15	C
2	15	q
1	16	D
2	16	L
1	17	D
2	17	T
1	18	D
2	18	b
1	19	D
2	19	j
1	20	D
2	20	r
1	21	E
2	21	M
1	22	E
2	22	U
1	23	E
2	23	c
1	24	E
2	24	k
1	25	E
2	25	s
1	26	F
2	26	N
1	27	F
2	27	V
1	28	F
2	28	d
1	29	F
2	29	l
1	30	F
2	30	t
1	31	G
2	31	O
1	32	G
2	32	W
1	33	G
2	33	e
1	34	G
2	34	m
1	35	G
2	35	u
1	36	H
2	36	P
1	37	H
2	37	X
1	38	H
2	38	f
1	39	H
2	39	n
1	40	H
2	40	v
1	41	I
2	41	Q
1	42	I
2	42	Y
1	43	I
2	43	g
1	44	I
2	44	o
1	45	J
2	45	R
1	46	J
2	46	Z
1	47	J
2	47	h
1	48	J
2	48	p
1	49	K
2	49	S
1	50	K
2	50	a
1	51	K
2	51	i
1	52	K
2	52	q
1	53	L
2	53	T
1	54	L
2	54	b
1	55	L
2	55	j
1	56	L
2	56	r
1	57	M
2	57	U
1	58	M
2	58	c
1	59	M
2	59	k
1	60	M
2	60	s
1	61	N
2	61	V
1	62	N
2	62	d
1	63	N
2	63	l
1	64	N
2	64	t
1	65	O
2	65	W
1	66	O
2	66	e
1	67	O
2	67	m
1	68	O
2	68	u
1	69	P
2	69	X
1	70	P
2	70	f
1	71	P
2	71	n
1	72	P
2	72	v
1	73	Q
2	73	Y
1	74	Q
2	74	g
1	75	Q
2	75	o
1	76	R
2	76	Z
1	77	R
2	77	h
1	78	R
2	78	p
1	79	S
2	79	a
1	80	S
2	80	i
1	81	S
2	81	q
1	82	T
2	82	b
1	83	T
2	83	j
1	84	T
2	84	r
1	85	U
2	85	c
1	86	U
2	86	k
1	87	U
2	87	s
1	88	V
2	88	d
1	89	V
2	89	l
1	90	V
2	90	t
1	91	W
2	91	e
1	92	W
2	92	m
1	93	W
2	93	u
1	94	X
2	94	f
1	95	X
2	95	n
1	96	X
2	96	v
1	97	Y
2	97	g
1	98	Y
2	98	o
1	99	Z
2	99	h
1	100	Z
2	100	p
1	101	a
2	101	i
1	102	a
2	102	q
1	103	b
2	103	j
1	104	b
2	104	r
1	105	c
2	105	k
1	106	c
2	106	s
1	107	d
2	107	l
1	108	d
2	108	t
1	109	e
2	109	m
1	110	e
2	110	u
1	111	f
2	111	n
1	112	f
2	112	v
1	113	g
2	113	o
1	114	h
2	114	p
1	115	i
2	115	q
1	116	j
2	116	r
1	117	k
2	117	s
1	118	l
2	118	t
1	119	m
2	119	u
1	120	n
2	120	v

NCSドメイン領域:

Component-ID: _ / Refine code: _

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	VAL	VAL	PRO	PRO	A	A	77 - 505	30 - 458
2	1	VAL	VAL	PRO	PRO	I	I	77 - 505	30 - 458
1	2	VAL	VAL	PRO	PRO	A	A	77 - 505	30 - 458
2	2	VAL	VAL	PRO	PRO	Q	Q	77 - 505	30 - 458
1	3	VAL	VAL	PRO	PRO	A	A	77 - 505	30 - 458
2	3	VAL	VAL	PRO	PRO	Y	Y	77 - 505	30 - 458
1	4	VAL	VAL	PRO	PRO	A	A	77 - 505	30 - 458
2	4	VAL	VAL	PRO	PRO	g	GA	77 - 505	30 - 458
1	5	VAL	VAL	PRO	PRO	A	A	77 - 505	30 - 458
2	5	VAL	VAL	PRO	PRO	o	OA	77 - 505	30 - 458
1	6	VAL	VAL	ALA	ALA	B	B	30 - 443	34 - 447
2	6	VAL	VAL	ALA	ALA	J	J	30 - 443	34 - 447
1	7	VAL	VAL	ALA	ALA	B	B	30 - 443	34 - 447
2	7	VAL	VAL	ALA	ALA	R	R	30 - 443	34 - 447
1	8	VAL	VAL	ALA	ALA	B	B	30 - 443	34 - 447
2	8	VAL	VAL	ALA	ALA	Z	Z	30 - 443	34 - 447
1	9	VAL	VAL	ALA	ALA	B	B	30 - 443	34 - 447
2	9	VAL	VAL	ALA	ALA	h	HA	30 - 443	34 - 447
1	10	VAL	VAL	ALA	ALA	B	B	30 - 443	34 - 447
2	10	VAL	VAL	ALA	ALA	p	PA	30 - 443	34 - 447
1	11	SER	SER	PHE	PHE	C	C	3 - 403	7 - 407
2	11	SER	SER	PHE	PHE	K	K	3 - 403	7 - 407
1	12	SER	SER	PHE	PHE	C	C	3 - 403	7 - 407
2	12	SER	SER	PHE	PHE	S	S	3 - 403	7 - 407
1	13	SER	SER	PHE	PHE	C	C	3 - 403	7 - 407
2	13	SER	SER	PHE	PHE	a	AA	3 - 403	7 - 407
1	14	SER	SER	PHE	PHE	C	C	3 - 403	7 - 407
2	14	SER	SER	PHE	PHE	i	IA	3 - 403	7 - 407
1	15	SER	SER	PHE	PHE	C	C	3 - 403	7 - 407
2	15	SER	SER	PHE	PHE	q	QA	3 - 403	7 - 407
1	16	MET	MET	GLN	GLN	D	D	1 - 406	5 - 410
2	16	MET	MET	GLN	GLN	L	L	1 - 406	5 - 410
1	17	MET	MET	GLN	GLN	D	D	1 - 406	5 - 410
2	17	MET	MET	GLN	GLN	T	T	1 - 406	5 - 410
1	18	MET	MET	GLN	GLN	D	D	1 - 406	5 - 410
2	18	MET	MET	GLN	GLN	b	BA	1 - 406	5 - 410
1	19	MET	MET	GLN	GLN	D	D	1 - 406	5 - 410
2	19	MET	MET	GLN	GLN	j	JA	1 - 406	5 - 410
1	20	MET	MET	GLN	GLN	D	D	1 - 406	5 - 410
2	20	MET	MET	GLN	GLN	r	RA	1 - 406	5 - 410
1	21	SER	SER	ILE	ILE	E	E	24 - 333	15 - 324
2	21	SER	SER	ILE	ILE	M	M	24 - 333	15 - 324
1	22	SER	SER	ILE	ILE	E	E	24 - 333	15 - 324
2	22	SER	SER	ILE	ILE	U	U	24 - 333	15 - 324
1	23	SER	SER	ILE	ILE	E	E	24 - 333	15 - 324
2	23	SER	SER	ILE	ILE	c	CA	24 - 333	15 - 324
1	24	SER	SER	ILE	ILE	E	E	24 - 333	15 - 324
2	24	SER	SER	ILE	ILE	k	KA	24 - 333	15 - 324
1	25	SER	SER	ILE	ILE	E	E	24 - 333	15 - 324
2	25	SER	SER	ILE	ILE	s	SA	24 - 333	15 - 324
1	26	SER	SER	GLN	GLN	F	F	29 - 316	33 - 320
2	26	SER	SER	GLN	GLN	N	N	29 - 316	33 - 320
1	27	SER	SER	GLN	GLN	F	F	29 - 316	33 - 320
2	27	SER	SER	GLN	GLN	V	V	29 - 316	33 - 320
1	28	SER	SER	GLN	GLN	F	F	29 - 316	33 - 320
2	28	SER	SER	GLN	GLN	d	DA	29 - 316	33 - 320
1	29	SER	SER	GLN	GLN	F	F	29 - 316	33 - 320
2	29	SER	SER	GLN	GLN	l	LA	29 - 316	33 - 320
1	30	SER	SER	GLN	GLN	F	F	29 - 316	33 - 320
2	30	SER	SER	GLN	GLN	t	TA	29 - 316	33 - 320
1	31	THR	THR	ASN	ASN	G	G	8 - 215	12 - 219
2	31	THR	THR	ASN	ASN	O	O	8 - 215	12 - 219
1	32	THR	THR	ASN	ASN	G	G	8 - 215	12 - 219
2	32	THR	THR	ASN	ASN	W	W	8 - 215	12 - 219
1	33	THR	THR	ASN	ASN	G	G	8 - 215	12 - 219
2	33	THR	THR	ASN	ASN	e	EA	8 - 215	12 - 219
1	34	THR	THR	ASN	ASN	G	G	8 - 215	12 - 219
2	34	THR	THR	ASN	ASN	m	MA	8 - 215	12 - 219
1	35	THR	THR	ASN	ASN	G	G	8 - 215	12 - 219
2	35	THR	THR	ASN	ASN	u	UA	8 - 215	12 - 219
1	36	PHE	PHE	ASN	ASN	H	H	11 - 209	15 - 213
2	36	PHE	PHE	ASN	ASN	P	P	11 - 209	15 - 213
1	37	PHE	PHE	ASN	ASN	H	H	11 - 209	15 - 213
2	37	PHE	PHE	ASN	ASN	X	X	11 - 209	15 - 213
1	38	PHE	PHE	ASN	ASN	H	H	11 - 209	15 - 213
2	38	PHE	PHE	ASN	ASN	f	FA	11 - 209	15 - 213
1	39	PHE	PHE	ASN	ASN	H	H	11 - 209	15 - 213
2	39	PHE	PHE	ASN	ASN	n	NA	11 - 209	15 - 213
1	40	PHE	PHE	ASN	ASN	H	H	11 - 209	15 - 213
2	40	PHE	PHE	ASN	ASN	v	VA	11 - 209	15 - 213
1	41	VAL	VAL	PRO	PRO	I	I	77 - 505	30 - 458
2	41	VAL	VAL	PRO	PRO	Q	Q	77 - 505	30 - 458
1	42	VAL	VAL	PRO	PRO	I	I	77 - 505	30 - 458
2	42	VAL	VAL	PRO	PRO	Y	Y	77 - 505	30 - 458
1	43	VAL	VAL	PRO	PRO	I	I	77 - 505	30 - 458
2	43	VAL	VAL	PRO	PRO	g	GA	77 - 505	30 - 458
1	44	VAL	VAL	PRO	PRO	I	I	77 - 505	30 - 458
2	44	VAL	VAL	PRO	PRO	o	OA	77 - 505	30 - 458
1	45	VAL	VAL	ALA	ALA	J	J	30 - 443	34 - 447
2	45	VAL	VAL	ALA	ALA	R	R	30 - 443	34 - 447
1	46	VAL	VAL	ALA	ALA	J	J	30 - 443	34 - 447
2	46	VAL	VAL	ALA	ALA	Z	Z	30 - 443	34 - 447
1	47	VAL	VAL	ALA	ALA	J	J	30 - 443	34 - 447
2	47	VAL	VAL	ALA	ALA	h	HA	30 - 443	34 - 447
1	48	VAL	VAL	ALA	ALA	J	J	30 - 443	34 - 447
2	48	VAL	VAL	ALA	ALA	p	PA	30 - 443	34 - 447
1	49	SER	SER	PHE	PHE	K	K	3 - 403	7 - 407
2	49	SER	SER	PHE	PHE	S	S	3 - 403	7 - 407
1	50	SER	SER	PHE	PHE	K	K	3 - 403	7 - 407
2	50	SER	SER	PHE	PHE	a	AA	3 - 403	7 - 407
1	51	SER	SER	PHE	PHE	K	K	3 - 403	7 - 407
2	51	SER	SER	PHE	PHE	i	IA	3 - 403	7 - 407
1	52	SER	SER	PHE	PHE	K	K	3 - 403	7 - 407
2	52	SER	SER	PHE	PHE	q	QA	3 - 403	7 - 407
1	53	MET	MET	GLN	GLN	L	L	1 - 406	5 - 410
2	53	MET	MET	GLN	GLN	T	T	1 - 406	5 - 410
1	54	MET	MET	GLN	GLN	L	L	1 - 406	5 - 410
2	54	MET	MET	GLN	GLN	b	BA	1 - 406	5 - 410
1	55	MET	MET	GLN	GLN	L	L	1 - 406	5 - 410
2	55	MET	MET	GLN	GLN	j	JA	1 - 406	5 - 410
1	56	MET	MET	GLN	GLN	L	L	1 - 406	5 - 410
2	56	MET	MET	GLN	GLN	r	RA	1 - 406	5 - 410
1	57	SER	SER	ILE	ILE	M	M	24 - 333	15 - 324
2	57	SER	SER	ILE	ILE	U	U	24 - 333	15 - 324
1	58	SER	SER	ILE	ILE	M	M	24 - 333	15 - 324
2	58	SER	SER	ILE	ILE	c	CA	24 - 333	15 - 324
1	59	SER	SER	ILE	ILE	M	M	24 - 333	15 - 324
2	59	SER	SER	ILE	ILE	k	KA	24 - 333	15 - 324
1	60	SER	SER	ILE	ILE	M	M	24 - 333	15 - 324
2	60	SER	SER	ILE	ILE	s	SA	24 - 333	15 - 324
1	61	SER	SER	GLN	GLN	N	N	29 - 316	33 - 320
2	61	SER	SER	GLN	GLN	V	V	29 - 316	33 - 320
1	62	SER	SER	GLN	GLN	N	N	29 - 316	33 - 320
2	62	SER	SER	GLN	GLN	d	DA	29 - 316	33 - 320
1	63	SER	SER	GLN	GLN	N	N	29 - 316	33 - 320
2	63	SER	SER	GLN	GLN	l	LA	29 - 316	33 - 320
1	64	SER	SER	GLN	GLN	N	N	29 - 316	33 - 320
2	64	SER	SER	GLN	GLN	t	TA	29 - 316	33 - 320
1	65	THR	THR	ASN	ASN	O	O	8 - 215	12 - 219
2	65	THR	THR	ASN	ASN	W	W	8 - 215	12 - 219
1	66	THR	THR	ASN	ASN	O	O	8 - 215	12 - 219
2	66	THR	THR	ASN	ASN	e	EA	8 - 215	12 - 219
1	67	THR	THR	ASN	ASN	O	O	8 - 215	12 - 219
2	67	THR	THR	ASN	ASN	m	MA	8 - 215	12 - 219
1	68	THR	THR	ASN	ASN	O	O	8 - 215	12 - 219
2	68	THR	THR	ASN	ASN	u	UA	8 - 215	12 - 219
1	69	PHE	PHE	ASN	ASN	P	P	11 - 209	15 - 213
2	69	PHE	PHE	ASN	ASN	X	X	11 - 209	15 - 213
1	70	PHE	PHE	ASN	ASN	P	P	11 - 209	15 - 213
2	70	PHE	PHE	ASN	ASN	f	FA	11 - 209	15 - 213
1	71	PHE	PHE	ASN	ASN	P	P	11 - 209	15 - 213
2	71	PHE	PHE	ASN	ASN	n	NA	11 - 209	15 - 213
1	72	PHE	PHE	ASN	ASN	P	P	11 - 209	15 - 213
2	72	PHE	PHE	ASN	ASN	v	VA	11 - 209	15 - 213
1	73	VAL	VAL	PRO	PRO	Q	Q	77 - 505	30 - 458
2	73	VAL	VAL	PRO	PRO	Y	Y	77 - 505	30 - 458
1	74	VAL	VAL	PRO	PRO	Q	Q	77 - 505	30 - 458
2	74	VAL	VAL	PRO	PRO	g	GA	77 - 505	30 - 458
1	75	VAL	VAL	PRO	PRO	Q	Q	77 - 505	30 - 458
2	75	VAL	VAL	PRO	PRO	o	OA	77 - 505	30 - 458
1	76	VAL	VAL	ALA	ALA	R	R	30 - 443	34 - 447
2	76	VAL	VAL	ALA	ALA	Z	Z	30 - 443	34 - 447
1	77	VAL	VAL	ALA	ALA	R	R	30 - 443	34 - 447
2	77	VAL	VAL	ALA	ALA	h	HA	30 - 443	34 - 447
1	78	VAL	VAL	ALA	ALA	R	R	30 - 443	34 - 447
2	78	VAL	VAL	ALA	ALA	p	PA	30 - 443	34 - 447
1	79	SER	SER	PHE	PHE	S	S	3 - 403	7 - 407
2	79	SER	SER	PHE	PHE	a	AA	3 - 403	7 - 407
1	80	SER	SER	PHE	PHE	S	S	3 - 403	7 - 407
2	80	SER	SER	PHE	PHE	i	IA	3 - 403	7 - 407
1	81	SER	SER	PHE	PHE	S	S	3 - 403	7 - 407
2	81	SER	SER	PHE	PHE	q	QA	3 - 403	7 - 407
1	82	MET	MET	GLN	GLN	T	T	1 - 406	5 - 410
2	82	MET	MET	GLN	GLN	b	BA	1 - 406	5 - 410
1	83	MET	MET	GLN	GLN	T	T	1 - 406	5 - 410
2	83	MET	MET	GLN	GLN	j	JA	1 - 406	5 - 410
1	84	MET	MET	GLN	GLN	T	T	1 - 406	5 - 410
2	84	MET	MET	GLN	GLN	r	RA	1 - 406	5 - 410
1	85	SER	SER	ILE	ILE	U	U	24 - 333	15 - 324
2	85	SER	SER	ILE	ILE	c	CA	24 - 333	15 - 324
1	86	SER	SER	ILE	ILE	U	U	24 - 333	15 - 324
2	86	SER	SER	ILE	ILE	k	KA	24 - 333	15 - 324
1	87	SER	SER	ILE	ILE	U	U	24 - 333	15 - 324
2	87	SER	SER	ILE	ILE	s	SA	24 - 333	15 - 324
1	88	SER	SER	GLN	GLN	V	V	29 - 316	33 - 320
2	88	SER	SER	GLN	GLN	d	DA	29 - 316	33 - 320
1	89	SER	SER	GLN	GLN	V	V	29 - 316	33 - 320
2	89	SER	SER	GLN	GLN	l	LA	29 - 316	33 - 320
1	90	SER	SER	GLN	GLN	V	V	29 - 316	33 - 320
2	90	SER	SER	GLN	GLN	t	TA	29 - 316	33 - 320
1	91	THR	THR	ASN	ASN	W	W	8 - 215	12 - 219
2	91	THR	THR	ASN	ASN	e	EA	8 - 215	12 - 219
1	92	THR	THR	ASN	ASN	W	W	8 - 215	12 - 219
2	92	THR	THR	ASN	ASN	m	MA	8 - 215	12 - 219
1	93	THR	THR	ASN	ASN	W	W	8 - 215	12 - 219
2	93	THR	THR	ASN	ASN	u	UA	8 - 215	12 - 219
1	94	PHE	PHE	ASN	ASN	X	X	11 - 209	15 - 213
2	94	PHE	PHE	ASN	ASN	f	FA	11 - 209	15 - 213
1	95	PHE	PHE	ASN	ASN	X	X	11 - 209	15 - 213
2	95	PHE	PHE	ASN	ASN	n	NA	11 - 209	15 - 213
1	96	PHE	PHE	ASN	ASN	X	X	11 - 209	15 - 213
2	96	PHE	PHE	ASN	ASN	v	VA	11 - 209	15 - 213
1	97	VAL	VAL	PRO	PRO	Y	Y	77 - 505	30 - 458
2	97	VAL	VAL	PRO	PRO	g	GA	77 - 505	30 - 458
1	98	VAL	VAL	PRO	PRO	Y	Y	77 - 505	30 - 458
2	98	VAL	VAL	PRO	PRO	o	OA	77 - 505	30 - 458
1	99	VAL	VAL	ALA	ALA	Z	Z	30 - 443	34 - 447
2	99	VAL	VAL	ALA	ALA	h	HA	30 - 443	34 - 447
1	100	VAL	VAL	ALA	ALA	Z	Z	30 - 443	34 - 447
2	100	VAL	VAL	ALA	ALA	p	PA	30 - 443	34 - 447
1	101	SER	SER	PHE	PHE	a	AA	3 - 403	7 - 407
2	101	SER	SER	PHE	PHE	i	IA	3 - 403	7 - 407
1	102	SER	SER	PHE	PHE	a	AA	3 - 403	7 - 407
2	102	SER	SER	PHE	PHE	q	QA	3 - 403	7 - 407
1	103	MET	MET	GLN	GLN	b	BA	1 - 406	5 - 410
2	103	MET	MET	GLN	GLN	j	JA	1 - 406	5 - 410
1	104	MET	MET	GLN	GLN	b	BA	1 - 406	5 - 410
2	104	MET	MET	GLN	GLN	r	RA	1 - 406	5 - 410
1	105	SER	SER	ILE	ILE	c	CA	24 - 333	15 - 324
2	105	SER	SER	ILE	ILE	k	KA	24 - 333	15 - 324
1	106	SER	SER	ILE	ILE	c	CA	24 - 333	15 - 324
2	106	SER	SER	ILE	ILE	s	SA	24 - 333	15 - 324
1	107	SER	SER	GLN	GLN	d	DA	29 - 316	33 - 320
2	107	SER	SER	GLN	GLN	l	LA	29 - 316	33 - 320
1	108	SER	SER	GLN	GLN	d	DA	29 - 316	33 - 320
2	108	SER	SER	GLN	GLN	t	TA	29 - 316	33 - 320
1	109	THR	THR	ASN	ASN	e	EA	8 - 215	12 - 219
2	109	THR	THR	ASN	ASN	m	MA	8 - 215	12 - 219
1	110	THR	THR	ASN	ASN	e	EA	8 - 215	12 - 219
2	110	THR	THR	ASN	ASN	u	UA	8 - 215	12 - 219
1	111	PHE	PHE	ASN	ASN	f	FA	11 - 209	15 - 213
2	111	PHE	PHE	ASN	ASN	n	NA	11 - 209	15 - 213
1	112	PHE	PHE	ASN	ASN	f	FA	11 - 209	15 - 213
2	112	PHE	PHE	ASN	ASN	v	VA	11 - 209	15 - 213
1	113	VAL	VAL	PRO	PRO	g	GA	77 - 505	30 - 458
2	113	VAL	VAL	PRO	PRO	o	OA	77 - 505	30 - 458
1	114	VAL	VAL	ALA	ALA	h	HA	30 - 443	34 - 447
2	114	VAL	VAL	ALA	ALA	p	PA	30 - 443	34 - 447
1	115	SER	SER	PHE	PHE	i	IA	3 - 403	7 - 407
2	115	SER	SER	PHE	PHE	q	QA	3 - 403	7 - 407
1	116	MET	MET	GLN	GLN	j	JA	1 - 406	5 - 410
2	116	MET	MET	GLN	GLN	r	RA	1 - 406	5 - 410
1	117	SER	SER	ILE	ILE	k	KA	24 - 333	15 - 324
2	117	SER	SER	ILE	ILE	s	SA	24 - 333	15 - 324
1	118	SER	SER	GLN	GLN	l	LA	29 - 316	33 - 320
2	118	SER	SER	GLN	GLN	t	TA	29 - 316	33 - 320
1	119	THR	THR	ASN	ASN	m	MA	8 - 215	12 - 219
2	119	THR	THR	ASN	ASN	u	UA	8 - 215	12 - 219
1	120	PHE	PHE	ASN	ASN	n	NA	11 - 209	15 - 213
2	120	PHE	PHE	ASN	ASN	v	VA	11 - 209	15 - 213

NCSアンサンブル:

ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
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29
30
31
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33
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35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
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57
58
59
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61
62
63
64
65
66
67
68
69
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73
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75
76
77
78
79
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81
82
83
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103
104
105
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119
120

要素

COP9 signalosome complex subunit ... , 8種, 48分子 A I Q Y g o B J R Z h p C K S a i q D L T b j r E M U c k s ...

#1: タンパク質

A I Q Y g o
COP9 signalosome complex subunit 1 / Signalosome subunit 1 / G protein pathway suppressor 1 / GPS-1 / JAB1-containing signalosome subunit 1 / Protein MFH

詳細:

分子量: 54222.805 Da / 分子数: 6 / 断片: UNP residues 52-527 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: GPS1, COPS1, CSN1 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q13098

#2: タンパク質

B J R Z h p
COP9 signalosome complex subunit 2 / Signalosome subunit 2 / Alien homolog / JAB1-containing signalosome subunit 2 / Thyroid receptor-interacting protein 15 / TRIP-15

詳細:

分子量: 51992.922 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS2, CSN2, TRIP15 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: P61201

#3: タンパク質

C K S a i q
COP9 signalosome complex subunit 3 / Signalosome subunit 3 / JAB1-containing signalosome subunit 3

詳細:

分子量: 48252.355 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS3, CSN3 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q9UNS2

#4: タンパク質

D L T b j r
COP9 signalosome complex subunit 4 / Signalosome subunit 4 / JAB1-containing signalosome subunit 4

詳細:

分子量: 46651.039 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS4, CSN4 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q9BT78

#5: タンパク質

E M U c k s
COP9 signalosome complex subunit 5 / Signalosome subunit 5 / Jun activation domain-binding protein 1

詳細:

分子量: 36641.594 Da / 分子数: 6 / 断片: UNP residues 14-334 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS5, CSN5, JAB1 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ)
参照: UniProt: Q92905, 加水分解酵素; プロテアーゼ; ペプチド結合加水分解酵素

#6: タンパク質

F N V d l t
COP9 signalosome complex subunit 6 / Signalosome subunit 6 / JAB1-containing signalosome subunit 6 / MOV34 homolog / Vpr-interacting protein / hVIP

詳細:

分子量: 36531.746 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS6, CSN6, HVIP / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q7L5N1

#7: タンパク質

G O W e m u
COP9 signalosome complex subunit 7a / Signalosome subunit 7a / Dermal papilla-derived protein 10 / JAB1-containing signalosome subunit 7a

詳細:

分子量: 24649.197 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS7A, CSN7A, DERP10 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q9UBW8

#8: タンパク質

H P X f n v
COP9 signalosome complex subunit 8 / Signalosome subunit 8 / COP9 homolog / hCOP9 / JAB1-containing signalosome subunit 8

詳細:

分子量: 23573.895 Da / 分子数: 6 / 由来タイプ: 組換発現 / 由来: (組換発現) Homo sapiens (ヒト) / 遺伝子: COPS8, CSN8 / 細胞株 (発現宿主): High Five / 発現宿主: Trichoplusia ni (イラクサキンウワバ) / 参照: UniProt: Q99627

非ポリマー , 1種, 6分子

#9: 化合物

E-401 M-401 U-401 c-401 k-401 s-401
ChemComp-ZN / ZINC ION

詳細:

分子量: 65.409 Da / 分子数: 6 / 由来タイプ: 合成 / 式: Zn

実験情報

実験

• 実験: 手法: X線回折 / 使用した結晶の数: 1

試料調製

• 結晶: マシュー密度: 3.73 ų/Da / 溶媒含有率: 67.01 %
• 結晶化: 温度: 273 K / 手法: 蒸気拡散法, ハンギングドロップ法; 詳細: CRYSTALS GROWN BY VAPOR DIFFUSION BY MIXING 9.3 MG/ML PROTEIN IN 50 MM HEPES PH 7.4, 200 MM NACL, 2 MM EQUALLY WITH 12% PEG 6000, 100 MM TRISODIUM CITRATE PH 5.4, 0.1 M LI2SO4.; PH範囲: 5.4-7.4

データ収集

• 回折: 平均測定温度: 100 K
• 放射光源: 由来: シンクロトロン / サイト: SLS / ビームライン: X10SA / 波長: 1.0004 Å
• 検出器: タイプ: DECTRIS PILATUS 6M / 検出器: PIXEL / 日付: 2011年6月20日
• 放射: モノクロメーター: Si(111) / プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
• 放射波長: 波長: 1.0004 Å / 相対比: 1
• 反射: 解像度: 5.5→49.64 Å / Num. obs: 79098 / % possible obs: 94.9 % / 冗長度: 1.9 % / CC_1/2: 0.997 / R_merge(I) obs: 0.072 / R_pim(I) all: 0.065 / Net I/σ(I): 5.4 / Num. measured all: 153156

反射 シェル

Diffraction-ID: 1 / 冗長度: 1.9 % / Rejects: _

解像度 (Å)	Rmerge(I) obs	Mean I/σ(I) obs	Num. measured all	Num. unique all	CC1/2	Rpim(I) all	% possible all
5.5-5.61	1.329	0.6	8216	4292	0.166	1.205	88.7
28.04-49.64	0.025	20.2	960	504	0.998	0.023	78.8

位相決定

• 位相決定: 手法: 分子置換

Phasing MR

Model details: Phaser MODE: MR_AUTO

	最高解像度	最低解像度
Rotation	9.69 Å	335.49 Å
Translation	9.69 Å	335.49 Å

解析

ソフトウェア

名称	バージョン	分類
Aimless	0.3.11	データスケーリング
XDS	January 10, 2014	データ削減
PHASER	2.5.6	位相決定
REFMAC	5.8.0073	精密化
PDB_EXTRACT	3.15	データ抽出

精密化

構造決定の手法: 分子置換
開始モデル: 4d10 chains A-H

4d10

解像度: 5.5→49.64 Å / Cor.coef. F_o:F_c: 0.928 / Cor.coef. F_o:F_c free: 0.893 / SU B: 497.045 / SU ML: 2.032 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 1.987 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD
詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED

	Rfactor	反射数	%反射	Selection details
Rfree	0.2821	1996	2.5 %	RANDOM
Rwork	0.2542	78769	-	-
obs	0.2548	78769	96.92 %	-

• 溶媒の処理: イオンプローブ半径: 1 Å / 減衰半径: 1 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK

原子変位パラメータ

B_iso max: 287.26 Ų / B_iso mean: 125.221 Ų / B_iso min: 58.06 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	7.74 Å2	3.59 Å2	-3.95 Å2
2-	-	7.98 Å2	-5.52 Å2
3-	-	-	-22.28 Å2

精密化ステップ

サイクル: final / 解像度: 5.5→49.64 Å

	タンパク質	核酸	リガンド	溶媒	全体
原子数	124422	0	6	0	124428
Biso mean	-	-	130.24	-	-
残基数	-	-	-	-	15576

拘束条件

Refine-ID	タイプ	Dev ideal	Dev ideal target	数
X-RAY DIFFRACTION	r_bond_refined_d	0.005	0.019	126689
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	122700
X-RAY DIFFRACTION	r_angle_refined_deg	0.839	1.964	171132
X-RAY DIFFRACTION	r_angle_other_deg	0.745	3	282156
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.567	5	15492
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.218	24.78	6000
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.272	15	23304
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.045	15	702
X-RAY DIFFRACTION	r_chiral_restr	0.047	0.2	19332
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	142824
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	28854

Refine LS restraints NCS

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

Ens-ID	Dom-ID	Auth asym-ID	数	Rms dev position (Å)
1	1	A	25836	0
1	2	I	25836	0
2	1	A	25784	0.01
2	2	Q	25784	0.01
3	1	A	25779	0.01
3	2	Y	25779	0.01
4	1	A	25824	0
4	2	g	25824	0
5	1	A	25827	0
5	2	o	25827	0
6	1	B	25667	0
6	2	J	25667	0
7	1	B	25657	0
7	2	R	25657	0
8	1	B	25630	0.01
8	2	Z	25630	0.01
9	1	B	25619	0.01
9	2	h	25619	0.01
10	1	B	25638	0
10	2	p	25638	0
11	1	C	24484	0
11	2	K	24484	0
12	1	C	24485	0
12	2	S	24485	0
13	1	C	24485	0
13	2	a	24485	0
14	1	C	24479	0
14	2	i	24479	0
15	1	C	24479	0
15	2	q	24479	0
16	1	D	24818	0.05
16	2	L	24818	0.05
17	1	D	24736	0.05
17	2	T	24736	0.05
18	1	D	24575	0.06
18	2	b	24575	0.06
19	1	D	24524	0.06
19	2	j	24524	0.06
20	1	D	24533	0.06
20	2	r	24533	0.06
21	1	E	17400	0
21	2	M	17400	0
22	1	E	17399	0.01
22	2	U	17399	0.01
23	1	E	17399	0
23	2	c	17399	0
24	1	E	17387	0
24	2	k	17387	0
25	1	E	17387	0
25	2	s	17387	0
26	1	F	15807	0.02
26	2	N	15807	0.02
27	1	F	15827	0
27	2	V	15827	0
28	1	F	15813	0.01
28	2	d	15813	0.01
29	1	F	15819	0
29	2	l	15819	0
30	1	F	15817	0
30	2	t	15817	0
31	1	G	12461	0
31	2	O	12461	0
32	1	G	12462	0
32	2	W	12462	0
33	1	G	12458	0
33	2	e	12458	0
34	1	G	12455	0
34	2	m	12455	0
35	1	G	12456	0
35	2	u	12456	0
36	1	H	10323	0
36	2	P	10323	0
37	1	H	10321	0
37	2	X	10321	0
38	1	H	10320	0
38	2	f	10320	0
39	1	H	10323	0
39	2	n	10323	0
40	1	H	10320	0
40	2	v	10320	0
41	1	I	25790	0.01
41	2	Q	25790	0.01
42	1	I	25780	0.01
42	2	Y	25780	0.01
43	1	I	25826	0
43	2	g	25826	0
44	1	I	25827	0
44	2	o	25827	0
45	1	J	25660	0
45	2	R	25660	0
46	1	J	25634	0.01
46	2	Z	25634	0.01
47	1	J	25617	0.01
47	2	h	25617	0.01
48	1	J	25636	0.01
48	2	p	25636	0.01
49	1	K	24487	0
49	2	S	24487	0
50	1	K	24484	0
50	2	a	24484	0
51	1	K	24478	0
51	2	i	24478	0
52	1	K	24481	0
52	2	q	24481	0
53	1	L	24712	0.05
53	2	T	24712	0.05
54	1	L	24577	0.06
54	2	b	24577	0.06
55	1	L	24525	0.06
55	2	j	24525	0.06
56	1	L	24586	0.06
56	2	r	24586	0.06
57	1	M	17396	0.01
57	2	U	17396	0.01
58	1	M	17394	0
58	2	c	17394	0
59	1	M	17382	0
59	2	k	17382	0
60	1	M	17384	0
60	2	s	17384	0
61	1	N	15814	0.02
61	2	V	15814	0.02
62	1	N	15795	0.02
62	2	d	15795	0.02
63	1	N	15806	0.02
63	2	l	15806	0.02
64	1	N	15804	0.02
64	2	t	15804	0.02
65	1	O	12459	0
65	2	W	12459	0
66	1	O	12456	0
66	2	e	12456	0
67	1	O	12453	0
67	2	m	12453	0
68	1	O	12454	0
68	2	u	12454	0
69	1	P	10327	0
69	2	X	10327	0
70	1	P	10323	0
70	2	f	10323	0
71	1	P	10325	0
71	2	n	10325	0
72	1	P	10322	0
72	2	v	10322	0
73	1	Q	25828	0
73	2	Y	25828	0
74	1	Q	25777	0.01
74	2	g	25777	0.01
75	1	Q	25777	0.01
75	2	o	25777	0.01
76	1	R	25619	0.01
76	2	Z	25619	0.01
77	1	R	25609	0.01
77	2	h	25609	0.01
78	1	R	25628	0.01
78	2	p	25628	0.01
79	1	S	24479	0
79	2	a	24479	0
80	1	S	24480	0
80	2	i	24480	0
81	1	S	24483	0
81	2	q	24483	0
82	1	T	24514	0.06
82	2	b	24514	0.06
83	1	T	24440	0.07
83	2	j	24440	0.07
84	1	T	24504	0.06
84	2	r	24504	0.06
85	1	U	17396	0.01
85	2	c	17396	0.01
86	1	U	17385	0.01
86	2	k	17385	0.01
87	1	U	17385	0.01
87	2	s	17385	0.01
88	1	V	15815	0.01
88	2	d	15815	0.01
89	1	V	15822	0
89	2	l	15822	0
90	1	V	15820	0
90	2	t	15820	0
91	1	W	12458	0
91	2	e	12458	0
92	1	W	12455	0
92	2	m	12455	0
93	1	W	12457	0
93	2	u	12457	0
94	1	X	10321	0
94	2	f	10321	0
95	1	X	10325	0
95	2	n	10325	0
96	1	X	10322	0
96	2	v	10322	0
97	1	Y	25781	0.01
97	2	g	25781	0.01
98	1	Y	25784	0.01
98	2	o	25784	0.01
99	1	Z	25653	0
99	2	h	25653	0
100	1	Z	25649	0.01
100	2	p	25649	0.01
101	1	a	24478	0
101	2	i	24478	0
102	1	a	24476	0
102	2	q	24476	0
103	1	b	24365	0.07
103	2	j	24365	0.07
104	1	b	24419	0.07
104	2	r	24419	0.07
105	1	c	17392	0
105	2	k	17392	0
106	1	c	17391	0
106	2	s	17391	0
107	1	d	15812	0.01
107	2	l	15812	0.01
108	1	d	15810	0.01
108	2	t	15810	0.01
109	1	e	12456	0
109	2	m	12456	0
110	1	e	12457	0
110	2	u	12457	0
111	1	f	10320	0
111	2	n	10320	0
112	1	f	10319	0
112	2	v	10319	0
113	1	g	25831	0
113	2	o	25831	0
114	1	h	25661	0.01
114	2	p	25661	0.01
115	1	i	24484	0
115	2	q	24484	0
116	1	j	24657	0.06
116	2	r	24657	0.06
117	1	k	17410	0
117	2	s	17410	0
118	1	l	15830	0
118	2	t	15830	0
119	1	m	12457	0
119	2	u	12457	0
120	1	n	10322	0
120	2	v	10322	0

LS精密化 シェル

解像度: 5.5→5.643 Å / Total num. of bins used: 20

	Rfactor	反射数	%反射
Rfree	0.462	154	-
Rwork	0.435	5912	-
all	-	6066	-
obs	-	-	98.63 %

精密化 TLS

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

ID	L11 (°2)	L12 (°2)	L13 (°2)	L22 (°2)	L23 (°2)	L33 (°2)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å2)	T12 (Å2)	T13 (Å2)	T22 (Å2)	T23 (Å2)	T33 (Å2)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	4.026	0.5103	0.3287	0.7596	0.0735	1.8429	0.0231	-1.3274	0.1055	0.4222	0.1119	-0.1073	-0.3851	0.0072	-0.135	0.4238	0.2176	0.1578	0.6377	0.0672	1.0919	-62.9583	2.334	53.9567
2	1.4211	1.9919	-0.4909	3.7899	-0.3714	0.7893	-0.3958	-0.0812	-0.3983	-0.1022	0.2666	-0.2262	0.7672	-0.4294	0.1292	0.8125	-0.2867	0.2568	0.8932	0.1776	2.0123	-84.0256	-53.7851	24.3398
3	3.1145	-3.7999	2.3697	6.2672	-1.9952	2.3189	-0.012	-0.0247	-0.253	-0.0389	0.1785	0.6472	0.0138	0.0739	-0.1665	1.1626	0.3741	0.3873	0.7629	-0.2005	1.8671	-39.8016	-96.0235	9.54
4	1.2958	-2.6571	-0.689	6.5732	1.4284	0.6205	-0.1879	-0.2646	0.1944	0.3692	0.2458	-1.1599	0.554	0.3797	-0.0579	0.8794	0.4118	0.0136	0.7124	-0.2213	1.9056	-45.4035	-48.1696	19.208
5	2.1084	0.0668	-1.6895	2.6642	0.7379	4.0591	-0.0111	-1.0152	0.1851	0.4189	0.1926	0.2484	-0.5627	-0.9193	-0.1815	0.2651	0.5498	0.046	1.829	0.1434	1.3645	-104.0384	5.067	49.6803
6	2.0606	-0.8315	1.0696	1.563	1.2114	2.7702	0.7365	0.5713	-0.0271	-0.5209	-0.1176	-0.3654	0.242	0.5248	-0.6189	1.7256	0.1752	0.0787	2.7973	0.2498	2.6846	25.6634	-23.0923	15.6859
7	6.9406	-2.5882	0.9188	2.9949	1.0194	1.4405	0.0843	0.3272	-0.5374	-0.0339	0.0059	-0.1591	-0.1	0.9013	-0.0901	0.4991	-0.027	-0.0545	1.5756	0.2533	1.1338	-18.9917	-9.3398	27.0964
8	0.75	0.2531	0.8942	2.8016	-0.5595	2.7616	0.1159	-0.6965	-0.1121	0.4916	-0.1909	-0.3235	-0.4303	0.1599	0.075	0.2132	-0.359	0.0457	1.3477	0.2115	1.5352	-32.2289	-12.4637	66.8289
9	6.3815	3.7484	-2.2986	6.5502	1.79	3.5061	0.2222	-1.0196	0.3712	-0.3141	-0.4099	-0.116	-0.9218	0.5176	0.1877	0.9666	-0.0126	-0.2882	0.4547	0.2974	1.6242	-28.9082	20.8371	27.0275
10	0.6724	-0.8253	1.4841	2.0298	-0.4154	5.5128	-0.2752	-0.3305	0.1058	-0.2289	0.5291	-0.2783	-1.5087	-0.2188	-0.2539	1.1108	0.0805	0.3417	0.7103	0.0173	1.6167	-90.0509	20.0398	25.2459
11	3.7831	-0.4388	-0.7397	0.6506	0.4664	1.7478	0.1403	1.0303	-0.3989	-0.2987	0.0439	-0.0233	0.5521	0.1182	-0.1842	0.6767	-0.0764	-0.0741	0.6627	0.1007	1.1215	12.2252	-58.2632	72.6149
12	1.8542	-2.2152	0.4457	4.3765	-0.4329	0.8203	-0.1484	0.0877	0.3978	-0.0405	0.0594	0.0685	-0.8083	-0.3601	0.089	0.8947	0.3553	-0.2996	0.6935	0.2001	1.7846	-8.4726	-2.8795	102.7219
13	1.0616	-0.2229	-1.0227	6.559	2.049	1.6802	-0.3514	0.1863	0.144	-0.3663	0.4787	0.1094	-0.2191	0.1158	-0.1274	1.2383	-0.3097	-0.1708	0.7994	0.0645	1.6418	35.8011	39.5061	117.1577
14	1.9368	1.3277	-0.4698	4.6168	0.9905	0.9929	-0.338	-0.0707	0.1376	-0.2355	0.7359	-1.3941	-0.4846	0.5636	-0.3978	0.8399	-0.2533	-0.1734	0.7451	0.0605	1.986	30.1374	-8.5136	107.8234
15	3.6425	0.1087	2.4098	2.1019	0.7523	2.4651	0.4797	0.6503	-0.2382	-0.0965	-0.3278	0.2478	0.7879	-0.5651	-0.1518	0.4839	-0.5678	0.0507	1.3903	0.1981	1.5111	-28.9826	-60.7535	77.0195
16	0.3158	-0.0925	-1.1356	0.0856	0.3749	5.2726	0.1065	0.1447	0.247	0.1938	-0.0336	-0.297	0.2865	0.3663	-0.0729	1.331	-0.1105	-0.0392	1.6024	0.2618	2.2959	101.0477	-33.3662	110.7539
17	2.866	1.1247	0.2653	1.388	1.3806	3.0879	-0.2556	0.5481	0.2767	-0.0714	0.1679	0.0003	0.1086	1.1177	0.0878	0.2139	0.0279	0.1059	1.0818	0.4778	1.5313	56.2352	-47.1636	99.5608
18	4.0346	-0.0166	1.5473	2.7509	-0.0538	3.1206	0.0018	1.3496	-0.106	-0.5688	0.0871	-0.2727	0.1812	0.7462	-0.0889	0.159	0.0561	0.231	1.4618	0.5009	1.1373	42.8809	-43.3256	59.7694
19	2.2971	-3.0879	0.3917	7.1269	0.9017	4.3844	0.0659	0.1985	-0.6396	-0.4433	0.2161	0.2383	1.3573	1.0237	-0.282	0.7883	0.3134	-0.1443	0.5595	0.135	1.3751	46.2399	-77.3322	99.2066
20	0.4737	0.4165	0.2002	0.5321	-0.4587	6.4082	-0.0191	0.4123	-0.5848	-0.0575	0.1751	-0.4859	1.0935	0.6082	-0.156	0.7062	-0.1815	-0.3114	0.8324	-0.0037	1.9123	-15.2409	-76.3671	101.3606
21	1.2763	1.6663	-0.1556	2.4896	-0.2801	1.251	0.5629	-0.261	-0.0594	0.9989	-0.2196	-0.2921	0.4329	0.253	-0.3433	0.8211	-0.0504	-0.2517	0.4938	-0.061	1.53	-46.0932	-75.638	-58.6028
22	1.9148	-2.356	-0.1833	4.7662	0.1072	0.5702	0.2769	0.0751	0.3258	-0.1488	-0.2621	0.2379	-0.6525	-0.4098	-0.0148	1.0791	0.1951	-0.1389	0.6144	-0.2461	1.6936	-82.9848	-30.0204	-89.0518
23	6.8501	0.1273	0.6288	2.5331	-0.0923	0.2977	0.1417	-0.2128	0.0728	-0.2187	-0.2587	0.1407	-0.0707	-0.1644	0.117	0.8095	-0.0179	-0.0526	1.0374	-0.0435	1.0492	-142.0409	-47.2102	-103.168
24	7.8453	-0.0586	1.8294	0.3919	-0.4782	1.3902	0.4141	-0.2926	-0.7538	-0.2252	0.1148	0.4734	0.2632	-0.7217	-0.5289	0.6987	0.0655	-0.0589	0.7014	0.0003	1.5025	-97.7932	-66.4472	-94.066
25	2.2326	1.1352	1.3887	2.9697	1.7115	3.4897	0.3794	-0.2844	0.0527	0.8255	-0.312	-0.421	-0.0799	0.8447	-0.0674	0.4558	-0.4142	0.1596	0.6387	0.0145	1.5032	-23.1266	-41.3157	-63.0389
26	2.0655	0.2419	-1.0394	1.1004	0.2168	4.0013	0.0915	0.3465	-0.6318	0.1907	0.2306	0.4404	0.8841	0.4103	-0.3221	1.3738	-0.2508	0.0847	1.2235	0.1104	1.9085	-111.5177	-140.7629	-96.8307
27	3.7083	1.1372	1.0335	2.2037	-0.2144	0.6531	0.4128	-0.3279	0.12	0.4435	-0.4061	0.3241	0.4806	-0.0763	-0.0067	1.0779	-0.1946	0.2277	0.3975	0.0788	1.2879	-77.58	-108.441	-85.5799
28	3.028	0.1734	0.548	3.3277	1.1417	1.3101	0.3564	-0.8449	-0.1897	1.2221	-0.2219	0.0095	0.4301	0.0855	-0.1345	1.7247	-0.581	0.3441	0.541	0.149	1.1699	-74.7427	-94.4136	-46.1197
29	1.3437	-1.6493	0.9524	2.9878	-1.2729	0.8889	0.2769	0.685	-0.1764	0.5223	-0.7	-0.8069	0.5409	0.5061	0.4231	1.7739	0.3415	-0.0074	0.3933	-0.184	2.075	-46.5846	-114.8797	-84.7352
30	1.0241	-0.1452	-1.6234	0.2651	-0.5658	6.6917	0.0987	-0.0259	-0.1032	-0.0794	-0.1617	-0.3389	0.8563	1.0468	0.0629	0.6962	0.242	-0.3711	0.4952	-0.3912	1.8661	-16.3561	-61.2075	-87.238
31	1.868	0.8793	-0.0122	2.9414	0.349	1.7822	0.0604	0.3712	0.0007	-0.6272	0.1239	0.1384	-0.455	-0.5657	-0.1843	0.5542	0.1013	0.1276	0.2736	0.1815	1.2901	-60.8353	19.7111	-39.9331
32	5.6713	0.1512	-0.6243	0.3385	-0.3392	0.9952	-0.1013	-0.138	-0.455	0.0107	-0.0458	-0.2235	-0.1014	0.7092	0.147	0.3606	-0.2344	0.1736	0.7951	0.1355	1.7019	-0.6383	9.9346	-12.0261
33	2.3657	-1.3691	1.9464	5.2204	1.0443	2.8193	0.1502	-0.097	0.0996	-0.1423	-0.6021	-0.1559	0.2556	-0.0575	0.4519	1.3609	0.2641	0.3069	1.3406	0.4268	1.7782	13.3535	-49.6834	3.9872
34	1.0057	-1.9164	0.9152	3.9334	-1.3363	1.8079	0.4488	0.1916	-0.3626	-0.8829	-0.1606	0.3106	0.6318	0.7901	-0.2883	1.0488	0.2736	-0.1238	0.5197	0.0952	1.8074	-24.638	-20.724	-6.4899
35	1.6158	-0.0336	-0.8951	2.7486	-1.7012	2.0487	0.0195	0.4031	0.2462	-0.5273	0.2848	0.2956	-0.7027	-0.3581	-0.3043	2.3423	-0.1791	0.2058	0.1447	-0.0115	1.7445	-43.298	57.0055	-35.9577
36	0.1152	0.093	0.3781	0.2934	0.7203	2.5116	-0.3275	-0.2012	-0.1284	-0.0683	-0.3227	0.6404	-0.1045	-0.2853	0.6502	2.8956	0.2958	0.1371	1.8903	-0.3789	3.0458	-70.4041	-71.5909	-4.9651
37	3.5063	1.44	2.1639	7.2483	1.4705	2.3526	0.6914	0.3888	-0.9825	0.5939	-0.1563	-0.5786	1.2874	-0.4272	-0.5351	1.152	-0.207	-0.0701	0.9881	-0.0777	1.4301	-69.3369	-24.3841	-12.9313
38	4.8269	1.1563	-1.4584	3.4381	0.3133	3.7276	-0.2641	0.5988	-0.5197	-0.3141	0.2039	0.0836	0.1266	-0.1958	0.0603	0.3791	-0.2526	0.0881	0.3003	0.0331	1.0339	-62.9143	-14.4239	-52.4992
39	8.4214	0.9073	-0.6447	2.7857	-2.4321	3.3112	-0.4818	0.0431	-0.084	-0.3472	0.4854	0.63	-0.2368	-0.6428	-0.0036	0.6003	0.0153	0.1904	0.8081	0.0502	1.262	-92.6327	-1.1271	-11.8548
40	2.62	-1.3932	-0.37	0.8454	0.4714	1.0554	-0.1942	-0.9161	0.1699	-0.3063	0.2392	-0.1637	-0.7688	-0.9788	-0.0451	1.9012	0.596	0.4786	1.6728	0.0476	1.7631	-62.2129	51.8897	-10.6103
41	2.5759	-1.1155	-0.4696	1.5992	0.0563	2.4631	-0.3663	-0.4949	0.3674	0.7919	0.4985	0.1468	0.4747	-0.2978	-0.1322	0.6651	0.025	0.2342	0.4232	0.291	1.705	14.5154	-76.6248	166.3684
42	3.5998	-0.2012	1.2017	1.2671	-0.0153	1.2384	-0.1083	-0.3156	0.1085	0.2311	0.3241	-0.5083	-0.2651	0.5966	-0.2157	0.253	-0.048	-0.1011	0.8141	0.028	1.9842	74.8048	-66.7351	139.0808
43	3.229	-0.7177	-0.2219	2.3465	2.1255	2.1972	0.0218	0.6205	0.335	-0.1419	-0.7632	0.2587	-0.4255	-0.2848	0.7414	1.3746	-0.0798	-0.3696	1.4479	0.2651	1.8429	88.6057	-7.0404	122.1064
44	2.5096	2.9169	0.7127	4.9346	1.695	1.4193	0.1807	-0.272	0.026	0.5969	0.0999	-0.3132	-0.4528	0.6572	-0.2806	0.974	-0.1808	-0.0153	0.8682	0.1695	1.4761	51.1136	-35.899	133.2783
45	2.7874	0.6245	-0.4863	2.3984	-0.8663	2.3777	-0.354	-0.4129	-0.5656	0.5682	0.4132	0.0297	1.2431	0.0211	-0.0592	1.4273	0.2792	0.3119	0.1977	0.2676	1.7346	30.2347	-114.2366	161.5499
46	1.0632	0.2725	-0.7742	0.103	-0.2321	0.914	-0.227	0.2695	0.2747	0.1506	-0.0606	0.2842	-0.562	0.4362	0.2876	3.0091	-0.7625	-0.2578	2.4111	-0.086	3.2124	13.4873	15.1326	137.6835
47	1.8549	-1.0855	-0.7302	5.0547	2.077	1.3348	0.0698	-0.1608	0.2995	0.086	0.0213	-0.212	-0.4148	-0.0404	-0.0911	0.7741	0.0253	0.2066	0.9071	0.1726	1.0702	7.1079	-32.1189	140.3216
48	3.2419	-0.4138	0.2076	2.4063	-0.6653	1.3537	-0.1141	-0.6693	0.1696	0.6358	0.3568	0.0598	-0.5545	-0.4747	-0.2427	0.9848	0.5758	0.3844	0.5568	-0.0773	1.3768	14.2611	-42.1513	178.0618
49	7.8528	0.0071	-0.7311	3.0189	-0.7001	2.3028	-0.1762	-0.2358	-0.2097	0.2238	0.04	0.4326	0.1794	-0.6139	0.1362	0.3177	0.0728	-0.029	0.899	0.2759	0.9861	-17.1032	-55.0969	138.5665
50	1.5573	-0.9831	-2.1475	1.0133	2.2179	5.1203	-0.0564	0.6499	-0.1415	0.3149	-0.1782	0.2435	0.8983	-0.8249	0.2346	1.1672	-0.2751	-0.1707	0.8469	0.4496	1.6484	12.0595	-107.6657	136.1694
51	0.5095	-0.7639	-0.2988	2.6036	0.6832	3.3536	0.2228	0.4054	0.1843	-0.7969	-0.153	0.0502	-0.0455	0.5758	-0.0698	0.3197	0.0231	0.2896	0.6738	0.0362	1.6233	29.0556	18.9228	183.1313
52	1.6233	0.8394	0.0691	3.2262	0.9374	1.4872	0.3344	0.0815	-0.3756	-0.3353	-0.2187	0.2459	0.818	-0.4359	-0.1157	1.0625	-0.2307	0.0662	0.1347	-0.0158	1.7107	-9.7513	-28.2205	210.593
53	0.0753	0.538	0.0462	4.1552	0.23	0.0806	0.0592	-0.1144	0.0649	0.2504	-0.3634	-0.0888	0.1053	-0.066	0.3042	1.2126	-0.1674	-0.0927	1.9008	-0.2698	1.627	-68.0436	-10.6441	227.2132
54	5.2361	-0.9048	-0.6036	0.396	-0.2975	1.3253	0.0115	0.0989	-0.3403	-0.3427	0.1974	0.0968	0.1749	-0.9505	-0.2089	0.7386	0.0391	0.11	0.7801	-0.0117	1.4194	-24.4276	7.6805	216.2098
55	2.3775	0.6806	-1.1483	2.5799	0.249	1.8935	0.013	0.3333	-0.0882	-0.877	-0.2075	-0.5927	0.5458	0.616	0.1945	0.8208	0.6898	0.2683	1.0015	0.1869	1.686	53.6132	-13.6218	188.0109
56	1.0701	-0.0084	1.7151	0.0528	0.016	2.9283	-0.0858	-0.4719	-0.2107	-0.23	-0.1301	0.2718	0.1112	-1.0579	0.216	1.8827	0.0633	-0.2507	2.795	-0.0778	3.0252	-50.0624	65.7803	210.4701
57	3.8792	-2.2574	0.7598	6.6113	-3.3861	4.7912	0.2672	0.1036	-0.0614	-0.6658	0.2181	0.896	-0.4353	-0.8233	-0.4853	0.9751	-0.1103	0.5194	0.4159	0.1724	1.58	-5.6454	47.8873	209.059
58	1.9986	0.7789	-0.1308	3.3245	1.0094	3.0875	0.1492	0.4209	0.0949	-1.0071	-0.019	0.2133	-0.8905	-0.1857	-0.1302	1.246	0.3779	0.1967	0.2416	0.3409	1.4146	-0.6595	36.4809	171.4766
59	5.2999	2.8568	-0.8737	5.7255	-1.2101	1.5457	-0.1048	0.0637	0.7244	-0.0133	-0.1372	-0.2691	-0.9476	0.331	0.242	1.0056	-0.4018	0.3304	0.261	-0.1918	1.3966	26.2978	57.2004	210.8281
60	2.0083	-0.4753	-0.9256	1.6127	-0.0981	3.2736	0.5421	-0.9577	0.0042	-0.2564	-0.542	-0.5071	-0.394	1.6508	-0.0001	0.3819	-0.1038	0.3857	2.1544	-0.0293	1.7576	57.0973	5.536	213.2368

精密化 TLSグループ

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	464 - 505
2	X-RAY DIFFRACTION	1	B	412 - 443
3	X-RAY DIFFRACTION	1	C	346 - 403
4	X-RAY DIFFRACTION	1	D	367 - 406
5	X-RAY DIFFRACTION	1	E	250 - 333
6	X-RAY DIFFRACTION	1	F	217 - 316
7	X-RAY DIFFRACTION	1	G	166 - 216
8	X-RAY DIFFRACTION	1	H	194 - 217
9	X-RAY DIFFRACTION	2	A	77 - 463
10	X-RAY DIFFRACTION	3	B	30 - 180
11	X-RAY DIFFRACTION	4	B	192 - 411
12	X-RAY DIFFRACTION	5	C	3 - 345
13	X-RAY DIFFRACTION	6	D	1 - 179
14	X-RAY DIFFRACTION	7	D	180 - 366
15	X-RAY DIFFRACTION	8	E	24 - 249
16	X-RAY DIFFRACTION	8	F	29 - 216
17	X-RAY DIFFRACTION	9	G	8 - 165
18	X-RAY DIFFRACTION	10	H	11 - 167
19	X-RAY DIFFRACTION	11	I	464 - 505
20	X-RAY DIFFRACTION	11	J	412 - 443
21	X-RAY DIFFRACTION	11	K	346 - 403
22	X-RAY DIFFRACTION	11	L	367 - 406
23	X-RAY DIFFRACTION	11	M	250 - 333
24	X-RAY DIFFRACTION	11	N	217 - 316
25	X-RAY DIFFRACTION	11	O	166 - 216
26	X-RAY DIFFRACTION	11	P	194 - 217
27	X-RAY DIFFRACTION	12	I	77 - 463
28	X-RAY DIFFRACTION	13	J	30 - 180
29	X-RAY DIFFRACTION	14	J	192 - 411
30	X-RAY DIFFRACTION	15	K	3 - 345
31	X-RAY DIFFRACTION	16	L	1 - 180
32	X-RAY DIFFRACTION	17	L	181 - 366
33	X-RAY DIFFRACTION	18	M	24 - 249
34	X-RAY DIFFRACTION	18	N	29 - 216
35	X-RAY DIFFRACTION	19	O	8 - 165
36	X-RAY DIFFRACTION	20	P	11 - 167
37	X-RAY DIFFRACTION	21	Q	464 - 505
38	X-RAY DIFFRACTION	21	R	412 - 443
39	X-RAY DIFFRACTION	21	S	346 - 403
40	X-RAY DIFFRACTION	21	T	367 - 406
41	X-RAY DIFFRACTION	21	U	250 - 333
42	X-RAY DIFFRACTION	21	V	217 - 316
43	X-RAY DIFFRACTION	21	W	166 - 216
44	X-RAY DIFFRACTION	21	X	194 - 217
45	X-RAY DIFFRACTION	22	Q	77 - 463
46	X-RAY DIFFRACTION	23	R	30 - 190
47	X-RAY DIFFRACTION	24	R	192 - 411
48	X-RAY DIFFRACTION	25	S	3 - 345
49	X-RAY DIFFRACTION	26	T	1 - 180
50	X-RAY DIFFRACTION	27	T	181 - 366
51	X-RAY DIFFRACTION	28	U	24 - 249
52	X-RAY DIFFRACTION	28	V	29 - 216
53	X-RAY DIFFRACTION	29	W	8 - 165
54	X-RAY DIFFRACTION	30	X	11 - 167
55	X-RAY DIFFRACTION	31	Y	464 - 505
56	X-RAY DIFFRACTION	31	Z	412 - 443
57	X-RAY DIFFRACTION	31	a	346 - 403
58	X-RAY DIFFRACTION	31	b	367 - 406
59	X-RAY DIFFRACTION	31	c	250 - 333
60	X-RAY DIFFRACTION	31	d	217 - 316
61	X-RAY DIFFRACTION	31	e	166 - 216
62	X-RAY DIFFRACTION	31	f	194 - 217
63	X-RAY DIFFRACTION	32	Y	77 - 463
64	X-RAY DIFFRACTION	33	Z	30 - 180
65	X-RAY DIFFRACTION	34	Z	192 - 411
66	X-RAY DIFFRACTION	35	a	3 - 345
67	X-RAY DIFFRACTION	36	b	1 - 180
68	X-RAY DIFFRACTION	37	b	181 - 366
69	X-RAY DIFFRACTION	38	c	24 - 249
70	X-RAY DIFFRACTION	38	d	29 - 216
71	X-RAY DIFFRACTION	39	e	8 - 165
72	X-RAY DIFFRACTION	40	f	11 - 167
73	X-RAY DIFFRACTION	41	g	464 - 505
74	X-RAY DIFFRACTION	41	h	412 - 443
75	X-RAY DIFFRACTION	41	i	346 - 403
76	X-RAY DIFFRACTION	41	j	367 - 406
77	X-RAY DIFFRACTION	41	k	250 - 333
78	X-RAY DIFFRACTION	41	l	217 - 316
79	X-RAY DIFFRACTION	41	m	166 - 216
80	X-RAY DIFFRACTION	41	n	194 - 217
81	X-RAY DIFFRACTION	42	g	77 - 463
82	X-RAY DIFFRACTION	43	h	30 - 180
83	X-RAY DIFFRACTION	44	h	192 - 411
84	X-RAY DIFFRACTION	45	i	3 - 345
85	X-RAY DIFFRACTION	46	j	1 - 180
86	X-RAY DIFFRACTION	47	j	181 - 366
87	X-RAY DIFFRACTION	48	k	24 - 249
88	X-RAY DIFFRACTION	48	l	29 - 216
89	X-RAY DIFFRACTION	49	m	8 - 165
90	X-RAY DIFFRACTION	50	n	11 - 167
91	X-RAY DIFFRACTION	51	o	464 - 505
92	X-RAY DIFFRACTION	51	p	412 - 443
93	X-RAY DIFFRACTION	51	q	346 - 403
94	X-RAY DIFFRACTION	51	r	367 - 406
95	X-RAY DIFFRACTION	51	s	250 - 333
96	X-RAY DIFFRACTION	51	t	217 - 316
97	X-RAY DIFFRACTION	51	u	166 - 216
98	X-RAY DIFFRACTION	51	v	194 - 217
99	X-RAY DIFFRACTION	52	o	77 - 463
100	X-RAY DIFFRACTION	53	p	30 - 180
101	X-RAY DIFFRACTION	54	p	192 - 411
102	X-RAY DIFFRACTION	55	q	3 - 345
103	X-RAY DIFFRACTION	56	r	1 - 180
104	X-RAY DIFFRACTION	57	r	181 - 366
105	X-RAY DIFFRACTION	58	s	24 - 249
106	X-RAY DIFFRACTION	58	t	29 - 216
107	X-RAY DIFFRACTION	59	u	8 - 165
108	X-RAY DIFFRACTION	60	v	11 - 167