PDB-6rjh: 3D structure of horse spleen apoferritin determined using multifu...

ID or keywords:

Entry

Database: PDB / ID: 6rjh

Title

3D structure of horse spleen apoferritin determined using multifunctional graphene supports for electron cryomicroscopy

Components

Ferritin light chain

Keywords

METAL TRANSPORT

Function / homology

Function and homology information

intracellular ferritin complex / intracellular sequestering of iron ion /

ferric iron binding /

ferrous iron binding / iron ion transport / iron ion binding /

cytoplasm
Similarity search - Function

Biological species

Equus caballus (horse)

Method

ELECTRON MICROSCOPY /

single particle reconstruction /

cryo EM / Resolution: 2.1 Å

Authors

Naydenova, K. / Peet, M.J. / Russo, C.J.

Funding support

United Kingdom, 1items

Citation

Journal: Proc Natl Acad Sci U S A / Year: 2019
Title: Multifunctional graphene supports for electron cryomicroscopy.
Authors: Katerina Naydenova / Mathew J Peet / Christopher J Russo /

Abstract: With recent technological advances, the atomic resolution structure of any purified biomolecular complex can, in principle, be determined by single-particle electron cryomicroscopy (cryoEM). In ...

History

Deposition	Apr 26, 2019	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 5, 2019	Provider: repository / Type: Initial release
Revision 1.1	Jun 12, 2019	Group: Data collection / Category: em_admin / pdbx_database_proc / Item: _em_admin.last_update
Revision 1.2	Jun 19, 2019	Group: Data collection / Database references / Category: citation / em_admin / pdbx_database_proc Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _em_admin.last_update
Revision 1.3	Dec 18, 2019	Group: Data collection / Other / Category: atom_sites / em_image_scans Item: _atom_sites.fract_transf_matrix[1][1] / _atom_sites.fract_transf_matrix[2][1] ..._atom_sites.fract_transf_matrix[1][1] / _atom_sites.fract_transf_matrix[2][1] / _atom_sites.fract_transf_matrix[2][2] / _atom_sites.fract_transf_matrix[3][2] / _atom_sites.fract_transf_matrix[3][3]

Movie	Deposited structure unit Imaged by Jmol Download Superimposition on EM map EMDB-4905 Imaged by UCSF Chimera Download Movie viewer
Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6rjh.cif.gz	775.1 KB	Display	PDBx/mmCIF format
PDB format	pdb6rjh.ent.gz	660.1 KB	Display	PDB format
PDBx/mmJSON format	6rjh.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/rj/6rjh ftp://data.pdbj.org/pub/pdb/validation_reports/rj/6rjh	HTTPS FTP

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Related structure data

Related structure data	4905MC M: map data used to model this data C: citing same article (ref.)
Similar structure data	6fx8-1 7bd7-1 2v2j-1 5gu0-1 2za7-1 2v2o-1 3u90-1 3o7r-1 2g4h-1 5gu1-1 Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
EM raw data	EMPIAR-10272 (Title: Movies of horse spleen apoferritin on multifunctional ultrastable graphene supports for electron cryomicroscopy Data size: 570.0 Data #1: Movies of apoferritin on functionalized ultrastable graphene support [micrographs - multiframe])

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#35 - Nov 2002 Ferritin and Transferrin similarity (10) #114 - Jun 2009 Vaults similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Ferritin light chain

B: Ferritin light chain

C: Ferritin light chain

D: Ferritin light chain

E: Ferritin light chain

F: Ferritin light chain

G: Ferritin light chain

H: Ferritin light chain

I: Ferritin light chain

J: Ferritin light chain

K: Ferritin light chain

L: Ferritin light chain

M: Ferritin light chain

N: Ferritin light chain

O: Ferritin light chain

P: Ferritin light chain

Q: Ferritin light chain

R: Ferritin light chain

S: Ferritin light chain

T: Ferritin light chain

U: Ferritin light chain

V: Ferritin light chain

W: Ferritin light chain

X: Ferritin light chain

469 kDa, 24 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: microscopy

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	A
2	12	M
1	13	A
2	13	N
1	14	A
2	14	O
1	15	A
2	15	P
1	16	A
2	16	Q
1	17	A
2	17	R
1	18	A
2	18	S
1	19	A
2	19	T
1	20	A
2	20	U
1	21	A
2	21	V
1	22	A
2	22	W
1	23	A
2	23	X
1	24	B
2	24	C
1	25	B
2	25	D
1	26	B
2	26	E
1	27	B
2	27	F
1	28	B
2	28	G
1	29	B
2	29	H
1	30	B
2	30	I
1	31	B
2	31	J
1	32	B
2	32	K
1	33	B
2	33	L
1	34	B
2	34	M
1	35	B
2	35	N
1	36	B
2	36	O
1	37	B
2	37	P
1	38	B
2	38	Q
1	39	B
2	39	R
1	40	B
2	40	S
1	41	B
2	41	T
1	42	B
2	42	U
1	43	B
2	43	V
1	44	B
2	44	W
1	45	B
2	45	X
1	46	C
2	46	D
1	47	C
2	47	E
1	48	C
2	48	F
1	49	C
2	49	G
1	50	C
2	50	H
1	51	C
2	51	I
1	52	C
2	52	J
1	53	C
2	53	K
1	54	C
2	54	L
1	55	C
2	55	M
1	56	C
2	56	N
1	57	C
2	57	O
1	58	C
2	58	P
1	59	C
2	59	Q
1	60	C
2	60	R
1	61	C
2	61	S
1	62	C
2	62	T
1	63	C
2	63	U
1	64	C
2	64	V
1	65	C
2	65	W
1	66	C
2	66	X
1	67	D
2	67	E
1	68	D
2	68	F
1	69	D
2	69	G
1	70	D
2	70	H
1	71	D
2	71	I
1	72	D
2	72	J
1	73	D
2	73	K
1	74	D
2	74	L
1	75	D
2	75	M
1	76	D
2	76	N
1	77	D
2	77	O
1	78	D
2	78	P
1	79	D
2	79	Q
1	80	D
2	80	R
1	81	D
2	81	S
1	82	D
2	82	T
1	83	D
2	83	U
1	84	D
2	84	V
1	85	D
2	85	W
1	86	D
2	86	X
1	87	E
2	87	F
1	88	E
2	88	G
1	89	E
2	89	H
1	90	E
2	90	I
1	91	E
2	91	J
1	92	E
2	92	K
1	93	E
2	93	L
1	94	E
2	94	M
1	95	E
2	95	N
1	96	E
2	96	O
1	97	E
2	97	P
1	98	E
2	98	Q
1	99	E
2	99	R
1	100	E
2	100	S
1	101	E
2	101	T
1	102	E
2	102	U
1	103	E
2	103	V
1	104	E
2	104	W
1	105	E
2	105	X
1	106	F
2	106	G
1	107	F
2	107	H
1	108	F
2	108	I
1	109	F
2	109	J
1	110	F
2	110	K
1	111	F
2	111	L
1	112	F
2	112	M
1	113	F
2	113	N
1	114	F
2	114	O
1	115	F
2	115	P
1	116	F
2	116	Q
1	117	F
2	117	R
1	118	F
2	118	S
1	119	F
2	119	T
1	120	F
2	120	U
1	121	F
2	121	V
1	122	F
2	122	W
1	123	F
2	123	X
1	124	G
2	124	H
1	125	G
2	125	I
1	126	G
2	126	J
1	127	G
2	127	K
1	128	G
2	128	L
1	129	G
2	129	M
1	130	G
2	130	N
1	131	G
2	131	O
1	132	G
2	132	P
1	133	G
2	133	Q
1	134	G
2	134	R
1	135	G
2	135	S
1	136	G
2	136	T
1	137	G
2	137	U
1	138	G
2	138	V
1	139	G
2	139	W
1	140	G
2	140	X
1	141	H
2	141	I
1	142	H
2	142	J
1	143	H
2	143	K
1	144	H
2	144	L
1	145	H
2	145	M
1	146	H
2	146	N
1	147	H
2	147	O
1	148	H
2	148	P
1	149	H
2	149	Q
1	150	H
2	150	R
1	151	H
2	151	S
1	152	H
2	152	T
1	153	H
2	153	U
1	154	H
2	154	V
1	155	H
2	155	W
1	156	H
2	156	X
1	157	I
2	157	J
1	158	I
2	158	K
1	159	I
2	159	L
1	160	I
2	160	M
1	161	I
2	161	N
1	162	I
2	162	O
1	163	I
2	163	P
1	164	I
2	164	Q
1	165	I
2	165	R
1	166	I
2	166	S
1	167	I
2	167	T
1	168	I
2	168	U
1	169	I
2	169	V
1	170	I
2	170	W
1	171	I
2	171	X
1	172	J
2	172	K
1	173	J
2	173	L
1	174	J
2	174	M
1	175	J
2	175	N
1	176	J
2	176	O
1	177	J
2	177	P
1	178	J
2	178	Q
1	179	J
2	179	R
1	180	J
2	180	S
1	181	J
2	181	T
1	182	J
2	182	U
1	183	J
2	183	V
1	184	J
2	184	W
1	185	J
2	185	X
1	186	K
2	186	L
1	187	K
2	187	M
1	188	K
2	188	N
1	189	K
2	189	O
1	190	K
2	190	P
1	191	K
2	191	Q
1	192	K
2	192	R
1	193	K
2	193	S
1	194	K
2	194	T
1	195	K
2	195	U
1	196	K
2	196	V
1	197	K
2	197	W
1	198	K
2	198	X
1	199	L
2	199	M
1	200	L
2	200	N
1	201	L
2	201	O
1	202	L
2	202	P
1	203	L
2	203	Q
1	204	L
2	204	R
1	205	L
2	205	S
1	206	L
2	206	T
1	207	L
2	207	U
1	208	L
2	208	V
1	209	L
2	209	W
1	210	L
2	210	X
1	211	M
2	211	N
1	212	M
2	212	O
1	213	M
2	213	P
1	214	M
2	214	Q
1	215	M
2	215	R
1	216	M
2	216	S
1	217	M
2	217	T
1	218	M
2	218	U
1	219	M
2	219	V
1	220	M
2	220	W
1	221	M
2	221	X
1	222	N
2	222	O
1	223	N
2	223	P
1	224	N
2	224	Q
1	225	N
2	225	R
1	226	N
2	226	S
1	227	N
2	227	T
1	228	N
2	228	U
1	229	N
2	229	V
1	230	N
2	230	W
1	231	N
2	231	X
1	232	O
2	232	P
1	233	O
2	233	Q
1	234	O
2	234	R
1	235	O
2	235	S
1	236	O
2	236	T
1	237	O
2	237	U
1	238	O
2	238	V
1	239	O
2	239	W
1	240	O
2	240	X
1	241	P
2	241	Q
1	242	P
2	242	R
1	243	P
2	243	S
1	244	P
2	244	T
1	245	P
2	245	U
1	246	P
2	246	V
1	247	P
2	247	W
1	248	P
2	248	X
1	249	Q
2	249	R
1	250	Q
2	250	S
1	251	Q
2	251	T
1	252	Q
2	252	U
1	253	Q
2	253	V
1	254	Q
2	254	W
1	255	Q
2	255	X
1	256	R
2	256	S
1	257	R
2	257	T
1	258	R
2	258	U
1	259	R
2	259	V
1	260	R
2	260	W
1	261	R
2	261	X
1	262	S
2	262	T
1	263	S
2	263	U
1	264	S
2	264	V
1	265	S
2	265	W
1	266	S
2	266	X
1	267	T
2	267	U
1	268	T
2	268	V
1	269	T
2	269	W
1	270	T
2	270	X
1	271	U
2	271	V
1	272	U
2	272	W
1	273	U
2	273	X
1	274	V
2	274	W
1	275	V
2	275	X
1	276	W
2	276	X

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Refine code	Auth asym-ID	Auth seq-ID
1	1	1	1	A	2 - 171
2	1	1	1	B	2 - 171
1	1	2	1	A	2 - 171
2	1	2	1	C	2 - 171
1	1	3	1	A	2 - 171
2	1	3	1	D	2 - 171
1	1	4	1	A	2 - 171
2	1	4	1	E	2 - 171
1	1	5	1	A	2 - 171
2	1	5	1	F	2 - 171
1	1	6	1	A	2 - 171
2	1	6	1	G	2 - 171
1	1	7	1	A	2 - 171
2	1	7	1	H	2 - 171
1	1	8	1	A	2 - 171
2	1	8	1	I	2 - 171
1	1	9	1	A	2 - 171
2	1	9	1	J	2 - 171
1	1	10	1	A	2 - 171
2	1	10	1	K	2 - 171
1	1	11	1	A	2 - 171
2	1	11	1	L	2 - 171
1	1	12	1	A	2 - 171
2	1	12	1	M	2 - 171
1	1	13	1	A	2 - 171
2	1	13	1	N	2 - 171
1	1	14	1	A	2 - 171
2	1	14	1	O	2 - 171
1	1	15	1	A	2 - 171
2	1	15	1	P	2 - 171
1	1	16	1	A	2 - 171
2	1	16	1	Q	2 - 171
1	1	17	1	A	2 - 171
2	1	17	1	R	2 - 171
1	1	18	1	A	2 - 171
2	1	18	1	S	2 - 171
1	1	19	1	A	2 - 171
2	1	19	1	T	2 - 171
1	1	20	1	A	2 - 171
2	1	20	1	U	2 - 171
1	1	21	1	A	2 - 171
2	1	21	1	V	2 - 171
1	1	22	1	A	2 - 171
2	1	22	1	W	2 - 171
1	1	23	1	A	2 - 171
2	1	23	1	X	2 - 171
1	1	24	1	B	2 - 171
2	1	24	1	C	2 - 171
1	1	25	1	B	2 - 171
2	1	25	1	D	2 - 171
1	1	26	1	B	2 - 171
2	1	26	1	E	2 - 171
1	1	27	1	B	2 - 171
2	1	27	1	F	2 - 171
1	1	28	1	B	2 - 171
2	1	28	1	G	2 - 171
1	1	29	1	B	2 - 171
2	1	29	1	H	2 - 171
1	1	30	1	B	2 - 171
2	1	30	1	I	2 - 171
1	1	31	1	B	2 - 171
2	1	31	1	J	2 - 171
1	1	32	1	B	2 - 171
2	1	32	1	K	2 - 171
1	1	33	1	B	2 - 171
2	1	33	1	L	2 - 171
1	1	34	1	B	2 - 171
2	1	34	1	M	2 - 171
1	1	35	1	B	2 - 171
2	1	35	1	N	2 - 171
1	1	36	1	B	2 - 171
2	1	36	1	O	2 - 171
1	1	37	1	B	2 - 171
2	1	37	1	P	2 - 171
1	1	38	1	B	2 - 171
2	1	38	1	Q	2 - 171
1	1	39	1	B	2 - 171
2	1	39	1	R	2 - 171
1	1	40	1	B	2 - 171
2	1	40	1	S	2 - 171
1	1	41	1	B	2 - 171
2	1	41	1	T	2 - 171
1	1	42	1	B	2 - 171
2	1	42	1	U	2 - 171
1	1	43	1	B	2 - 171
2	1	43	1	V	2 - 171
1	1	44	1	B	2 - 171
2	1	44	1	W	2 - 171
1	1	45	1	B	2 - 171
2	1	45	1	X	2 - 171
1	1	46	1	C	2 - 171
2	1	46	1	D	2 - 171
1	1	47	1	C	2 - 171
2	1	47	1	E	2 - 171
1	1	48	1	C	2 - 171
2	1	48	1	F	2 - 171
1	1	49	1	C	2 - 171
2	1	49	1	G	2 - 171
1	1	50	1	C	2 - 171
2	1	50	1	H	2 - 171
1	1	51	1	C	2 - 171
2	1	51	1	I	2 - 171
1	1	52	1	C	2 - 171
2	1	52	1	J	2 - 171
1	1	53	1	C	2 - 171
2	1	53	1	K	2 - 171
1	1	54	1	C	2 - 171
2	1	54	1	L	2 - 171
1	1	55	1	C	2 - 171
2	1	55	1	M	2 - 171
1	1	56	1	C	2 - 171
2	1	56	1	N	2 - 171
1	1	57	1	C	2 - 171
2	1	57	1	O	2 - 171
1	1	58	1	C	2 - 171
2	1	58	1	P	2 - 171
1	1	59	1	C	2 - 171
2	1	59	1	Q	2 - 171
1	1	60	1	C	2 - 171
2	1	60	1	R	2 - 171
1	1	61	1	C	2 - 171
2	1	61	1	S	2 - 171
1	1	62	1	C	2 - 171
2	1	62	1	T	2 - 171
1	1	63	1	C	2 - 171
2	1	63	1	U	2 - 171
1	1	64	1	C	2 - 171
2	1	64	1	V	2 - 171
1	1	65	1	C	2 - 171
2	1	65	1	W	2 - 171
1	1	66	1	C	2 - 171
2	1	66	1	X	2 - 171
1	1	67	1	D	2 - 171
2	1	67	1	E	2 - 171
1	1	68	1	D	2 - 171
2	1	68	1	F	2 - 171
1	1	69	1	D	2 - 171
2	1	69	1	G	2 - 171
1	1	70	1	D	2 - 171
2	1	70	1	H	2 - 171
1	1	71	1	D	2 - 171
2	1	71	1	I	2 - 171
1	1	72	1	D	2 - 171
2	1	72	1	J	2 - 171
1	1	73	1	D	2 - 171
2	1	73	1	K	2 - 171
1	1	74	1	D	2 - 171
2	1	74	1	L	2 - 171
1	1	75	1	D	2 - 171
2	1	75	1	M	2 - 171
1	1	76	1	D	2 - 171
2	1	76	1	N	2 - 171
1	1	77	1	D	2 - 171
2	1	77	1	O	2 - 171
1	1	78	1	D	2 - 171
2	1	78	1	P	2 - 171
1	1	79	1	D	2 - 171
2	1	79	1	Q	2 - 171
1	1	80	1	D	2 - 171
2	1	80	1	R	2 - 171
1	1	81	1	D	2 - 171
2	1	81	1	S	2 - 171
1	1	82	1	D	2 - 171
2	1	82	1	T	2 - 171
1	1	83	1	D	2 - 171
2	1	83	1	U	2 - 171
1	1	84	1	D	2 - 171
2	1	84	1	V	2 - 171
1	1	85	1	D	2 - 171
2	1	85	1	W	2 - 171
1	1	86	1	D	2 - 171
2	1	86	1	X	2 - 171
1	1	87	1	E	2 - 171
2	1	87	1	F	2 - 171
1	1	88	1	E	2 - 171
2	1	88	1	G	2 - 171
1	1	89	1	E	2 - 171
2	1	89	1	H	2 - 171
1	1	90	1	E	2 - 171
2	1	90	1	I	2 - 171
1	1	91	1	E	2 - 171
2	1	91	1	J	2 - 171
1	1	92	1	E	2 - 171
2	1	92	1	K	2 - 171
1	1	93	1	E	2 - 171
2	1	93	1	L	2 - 171
1	1	94	1	E	2 - 171
2	1	94	1	M	2 - 171
1	1	95	1	E	2 - 171
2	1	95	1	N	2 - 171
1	1	96	1	E	2 - 171
2	1	96	1	O	2 - 171
1	1	97	1	E	2 - 171
2	1	97	1	P	2 - 171
1	1	98	1	E	2 - 171
2	1	98	1	Q	2 - 171
1	1	99	1	E	2 - 171
2	1	99	1	R	2 - 171
1	1	100	1	E	2 - 171
2	1	100	1	S	2 - 171
1	1	101	1	E	2 - 171
2	1	101	1	T	2 - 171
1	1	102	1	E	2 - 171
2	1	102	1	U	2 - 171
1	1	103	1	E	2 - 171
2	1	103	1	V	2 - 171
1	1	104	1	E	2 - 171
2	1	104	1	W	2 - 171
1	1	105	1	E	2 - 171
2	1	105	1	X	2 - 171
1	1	106	1	F	2 - 171
2	1	106	1	G	2 - 171
1	1	107	1	F	2 - 171
2	1	107	1	H	2 - 171
1	1	108	1	F	2 - 171
2	1	108	1	I	2 - 171
1	1	109	1	F	2 - 171
2	1	109	1	J	2 - 171
1	1	110	1	F	2 - 171
2	1	110	1	K	2 - 171
1	1	111	1	F	2 - 171
2	1	111	1	L	2 - 171
1	1	112	1	F	2 - 171
2	1	112	1	M	2 - 171
1	1	113	1	F	2 - 171
2	1	113	1	N	2 - 171
1	1	114	1	F	2 - 171
2	1	114	1	O	2 - 171
1	1	115	1	F	2 - 171
2	1	115	1	P	2 - 171
1	1	116	1	F	2 - 171
2	1	116	1	Q	2 - 171
1	1	117	1	F	2 - 171
2	1	117	1	R	2 - 171
1	1	118	1	F	2 - 171
2	1	118	1	S	2 - 171
1	1	119	1	F	2 - 171
2	1	119	1	T	2 - 171
1	1	120	1	F	2 - 171
2	1	120	1	U	2 - 171
1	1	121	1	F	2 - 171
2	1	121	1	V	2 - 171
1	1	122	1	F	2 - 171
2	1	122	1	W	2 - 171
1	1	123	1	F	2 - 171
2	1	123	1	X	2 - 171
1	1	124	1	G	2 - 171
2	1	124	1	H	2 - 171
1	1	125	1	G	2 - 171
2	1	125	1	I	2 - 171
1	1	126	1	G	2 - 171
2	1	126	1	J	2 - 171
1	1	127	1	G	2 - 171
2	1	127	1	K	2 - 171
1	1	128	1	G	2 - 171
2	1	128	1	L	2 - 171
1	1	129	1	G	2 - 171
2	1	129	1	M	2 - 171
1	1	130	1	G	2 - 171
2	1	130	1	N	2 - 171
1	1	131	1	G	2 - 171
2	1	131	1	O	2 - 171
1	1	132	1	G	2 - 171
2	1	132	1	P	2 - 171
1	1	133	1	G	2 - 171
2	1	133	1	Q	2 - 171
1	1	134	1	G	2 - 171
2	1	134	1	R	2 - 171
1	1	135	1	G	2 - 171
2	1	135	1	S	2 - 171
1	1	136	1	G	2 - 171
2	1	136	1	T	2 - 171
1	1	137	1	G	2 - 171
2	1	137	1	U	2 - 171
1	1	138	1	G	2 - 171
2	1	138	1	V	2 - 171
1	1	139	1	G	2 - 171
2	1	139	1	W	2 - 171
1	1	140	1	G	2 - 171
2	1	140	1	X	2 - 171
1	1	141	1	H	2 - 171
2	1	141	1	I	2 - 171
1	1	142	1	H	2 - 171
2	1	142	1	J	2 - 171
1	1	143	1	H	2 - 171
2	1	143	1	K	2 - 171
1	1	144	1	H	2 - 171
2	1	144	1	L	2 - 171
1	1	145	1	H	2 - 171
2	1	145	1	M	2 - 171
1	1	146	1	H	2 - 171
2	1	146	1	N	2 - 171
1	1	147	1	H	2 - 171
2	1	147	1	O	2 - 171
1	1	148	1	H	2 - 171
2	1	148	1	P	2 - 171
1	1	149	1	H	2 - 171
2	1	149	1	Q	2 - 171
1	1	150	1	H	2 - 171
2	1	150	1	R	2 - 171
1	1	151	1	H	2 - 171
2	1	151	1	S	2 - 171
1	1	152	1	H	2 - 171
2	1	152	1	T	2 - 171
1	1	153	1	H	2 - 171
2	1	153	1	U	2 - 171
1	1	154	1	H	2 - 171
2	1	154	1	V	2 - 171
1	1	155	1	H	2 - 171
2	1	155	1	W	2 - 171
1	1	156	1	H	2 - 171
2	1	156	1	X	2 - 171
1	1	157	1	I	2 - 171
2	1	157	1	J	2 - 171
1	1	158	1	I	2 - 171
2	1	158	1	K	2 - 171
1	1	159	1	I	2 - 171
2	1	159	1	L	2 - 171
1	1	160	1	I	2 - 171
2	1	160	1	M	2 - 171
1	1	161	1	I	2 - 171
2	1	161	1	N	2 - 171
1	1	162	1	I	2 - 171
2	1	162	1	O	2 - 171
1	1	163	1	I	2 - 171
2	1	163	1	P	2 - 171
1	1	164	1	I	2 - 171
2	1	164	1	Q	2 - 171
1	1	165	1	I	2 - 171
2	1	165	1	R	2 - 171
1	1	166	1	I	2 - 171
2	1	166	1	S	2 - 171
1	1	167	1	I	2 - 171
2	1	167	1	T	2 - 171
1	1	168	1	I	2 - 171
2	1	168	1	U	2 - 171
1	1	169	1	I	2 - 171
2	1	169	1	V	2 - 171
1	1	170	1	I	2 - 171
2	1	170	1	W	2 - 171
1	1	171	1	I	2 - 171
2	1	171	1	X	2 - 171
1	1	172	1	J	2 - 171
2	1	172	1	K	2 - 171
1	1	173	1	J	2 - 171
2	1	173	1	L	2 - 171
1	1	174	1	J	2 - 171
2	1	174	1	M	2 - 171
1	1	175	1	J	2 - 171
2	1	175	1	N	2 - 171
1	1	176	1	J	2 - 171
2	1	176	1	O	2 - 171
1	1	177	1	J	2 - 171
2	1	177	1	P	2 - 171
1	1	178	1	J	2 - 171
2	1	178	1	Q	2 - 171
1	1	179	1	J	2 - 171
2	1	179	1	R	2 - 171
1	1	180	1	J	2 - 171
2	1	180	1	S	2 - 171
1	1	181	1	J	2 - 171
2	1	181	1	T	2 - 171
1	1	182	1	J	2 - 171
2	1	182	1	U	2 - 171
1	1	183	1	J	2 - 171
2	1	183	1	V	2 - 171
1	1	184	1	J	2 - 171
2	1	184	1	W	2 - 171
1	1	185	1	J	2 - 171
2	1	185	1	X	2 - 171
1	1	186	1	K	2 - 171
2	1	186	1	L	2 - 171
1	1	187	1	K	2 - 171
2	1	187	1	M	2 - 171
1	1	188	1	K	2 - 171
2	1	188	1	N	2 - 171
1	1	189	1	K	2 - 171
2	1	189	1	O	2 - 171
1	1	190	1	K	2 - 171
2	1	190	1	P	2 - 171
1	1	191	1	K	2 - 171
2	1	191	1	Q	2 - 171
1	1	192	1	K	2 - 171
2	1	192	1	R	2 - 171
1	1	193	1	K	2 - 171
2	1	193	1	S	2 - 171
1	1	194	1	K	2 - 171
2	1	194	1	T	2 - 171
1	1	195	1	K	2 - 171
2	1	195	1	U	2 - 171
1	1	196	1	K	2 - 171
2	1	196	1	V	2 - 171
1	1	197	1	K	2 - 171
2	1	197	1	W	2 - 171
1	1	198	1	K	2 - 171
2	1	198	1	X	2 - 171
1	1	199	1	L	2 - 171
2	1	199	1	M	2 - 171
1	1	200	1	L	2 - 171
2	1	200	1	N	2 - 171
1	1	201	1	L	2 - 171
2	1	201	1	O	2 - 171
1	1	202	1	L	2 - 171
2	1	202	1	P	2 - 171
1	1	203	1	L	2 - 171
2	1	203	1	Q	2 - 171
1	1	204	1	L	2 - 171
2	1	204	1	R	2 - 171
1	1	205	1	L	2 - 171
2	1	205	1	S	2 - 171
1	1	206	1	L	2 - 171
2	1	206	1	T	2 - 171
1	1	207	1	L	2 - 171
2	1	207	1	U	2 - 171
1	1	208	1	L	2 - 171
2	1	208	1	V	2 - 171
1	1	209	1	L	2 - 171
2	1	209	1	W	2 - 171
1	1	210	1	L	2 - 171
2	1	210	1	X	2 - 171
1	1	211	1	M	2 - 171
2	1	211	1	N	2 - 171
1	1	212	1	M	2 - 171
2	1	212	1	O	2 - 171
1	1	213	1	M	2 - 171
2	1	213	1	P	2 - 171
1	1	214	1	M	2 - 171
2	1	214	1	Q	2 - 171
1	1	215	1	M	2 - 171
2	1	215	1	R	2 - 171
1	1	216	1	M	2 - 171
2	1	216	1	S	2 - 171
1	1	217	1	M	2 - 171
2	1	217	1	T	2 - 171
1	1	218	1	M	2 - 171
2	1	218	1	U	2 - 171
1	1	219	1	M	2 - 171
2	1	219	1	V	2 - 171
1	1	220	1	M	2 - 171
2	1	220	1	W	2 - 171
1	1	221	1	M	2 - 171
2	1	221	1	X	2 - 171
1	1	222	1	N	2 - 171
2	1	222	1	O	2 - 171
1	1	223	1	N	2 - 171
2	1	223	1	P	2 - 171
1	1	224	1	N	2 - 171
2	1	224	1	Q	2 - 171
1	1	225	1	N	2 - 171
2	1	225	1	R	2 - 171
1	1	226	1	N	2 - 171
2	1	226	1	S	2 - 171
1	1	227	1	N	2 - 171
2	1	227	1	T	2 - 171
1	1	228	1	N	2 - 171
2	1	228	1	U	2 - 171
1	1	229	1	N	2 - 171
2	1	229	1	V	2 - 171
1	1	230	1	N	2 - 171
2	1	230	1	W	2 - 171
1	1	231	1	N	2 - 171
2	1	231	1	X	2 - 171
1	1	232	1	O	2 - 171
2	1	232	1	P	2 - 171
1	1	233	1	O	2 - 171
2	1	233	1	Q	2 - 171
1	1	234	1	O	2 - 171
2	1	234	1	R	2 - 171
1	1	235	1	O	2 - 171
2	1	235	1	S	2 - 171
1	1	236	1	O	2 - 171
2	1	236	1	T	2 - 171
1	1	237	1	O	2 - 171
2	1	237	1	U	2 - 171
1	1	238	1	O	2 - 171
2	1	238	1	V	2 - 171
1	1	239	1	O	2 - 171
2	1	239	1	W	2 - 171
1	1	240	1	O	2 - 171
2	1	240	1	X	2 - 171
1	1	241	1	P	2 - 171
2	1	241	1	Q	2 - 171
1	1	242	1	P	2 - 171
2	1	242	1	R	2 - 171
1	1	243	1	P	2 - 171
2	1	243	1	S	2 - 171
1	1	244	1	P	2 - 171
2	1	244	1	T	2 - 171
1	1	245	1	P	2 - 171
2	1	245	1	U	2 - 171
1	1	246	1	P	2 - 171
2	1	246	1	V	2 - 171
1	1	247	1	P	2 - 171
2	1	247	1	W	2 - 171
1	1	248	1	P	2 - 171
2	1	248	1	X	2 - 171
1	1	249	1	Q	2 - 171
2	1	249	1	R	2 - 171
1	1	250	1	Q	2 - 171
2	1	250	1	S	2 - 171
1	1	251	1	Q	2 - 171
2	1	251	1	T	2 - 171
1	1	252	1	Q	2 - 171
2	1	252	1	U	2 - 171
1	1	253	1	Q	2 - 171
2	1	253	1	V	2 - 171
1	1	254	1	Q	2 - 171
2	1	254	1	W	2 - 171
1	1	255	1	Q	2 - 171
2	1	255	1	X	2 - 171
1	1	256	1	R	2 - 171
2	1	256	1	S	2 - 171
1	1	257	1	R	2 - 171
2	1	257	1	T	2 - 171
1	1	258	1	R	2 - 171
2	1	258	1	U	2 - 171
1	1	259	1	R	2 - 171
2	1	259	1	V	2 - 171
1	1	260	1	R	2 - 171
2	1	260	1	W	2 - 171
1	1	261	1	R	2 - 171
2	1	261	1	X	2 - 171
1	1	262	1	S	2 - 171
2	1	262	1	T	2 - 171
1	1	263	1	S	2 - 171
2	1	263	1	U	2 - 171
1	1	264	1	S	2 - 171
2	1	264	1	V	2 - 171
1	1	265	1	S	2 - 171
2	1	265	1	W	2 - 171
1	1	266	1	S	2 - 171
2	1	266	1	X	2 - 171
1	1	267	1	T	2 - 171
2	1	267	1	U	2 - 171
1	1	268	1	T	2 - 171
2	1	268	1	V	2 - 171
1	1	269	1	T	2 - 171
2	1	269	1	W	2 - 171
1	1	270	1	T	2 - 171
2	1	270	1	X	2 - 171
1	1	271	1	U	2 - 171
2	1	271	1	V	2 - 171
1	1	272	1	U	2 - 171
2	1	272	1	W	2 - 171
1	1	273	1	U	2 - 171
2	1	273	1	X	2 - 171
1	1	274	1	V	2 - 171
2	1	274	1	W	2 - 171
1	1	275	1	V	2 - 171
2	1	275	1	X	2 - 171
1	1	276	1	W	2 - 171
2	1	276	1	X	2 - 171

NCS ensembles :
NCS oper:

ID	Code	Matrix	Vector
1	given	(1), (1), (1)
2	given	(1, 2.4E-5, -8.0E-6), (8.0E-6, 3.2E-5, 1), (2.4E-5, -1, 3.2E-5)	-0.00014, -0.00474, 220.82561

#1: Protein	... Ferritin light chain / / Ferritin L subunit Mass: 19532.113 Da / Num. of mol.: 24 / Source method: isolated from a natural source / Source: (natural) Equus caballus (horse) / References: UniProt: P02791

-
Experiment

Experiment	Method: ELECTRON MICROSCOPY
EM experiment	Aggregation state: PARTICLE / 3D reconstruction method: single particle reconstruction

-
Sample preparation

Component	Name: ApoferritinFerritin / Type: COMPLEX / Entity ID: all / Source: NATURAL
Molecular weight	Experimental value: NO
Source (natural)	Organism: Equus caballus (horse)
Buffer solution	pH: 7.4
Specimen	Embedding applied: NO / Shadowing applied: NO / Staining applied: NO / Vitrification applied: YES
Specimen support	Grid type: Homemade
Vitrification	Cryogen name: ETHANE

-
Electron microscopy imaging

Experimental equipment	Model: Titan Krios / Image courtesy: FEI Company
Microscopy	Model: FEI TITAN KRIOS
Electron gun	Electron source: FIELD EMISSION GUN / Accelerating voltage: 300 kV / Illumination mode: FLOOD BEAM
Electron lens	Mode: BRIGHT FIELDBright-field microscopy
Image recording	Electron dose: 37 e/Å² / Detector mode: COUNTING / Film or detector model: FEI FALCON III (4k x 4k)

-
Processing

Software

Name: REFMAC / Version: 5.8.0231 / Classification: refinement

EM software

ID	Name	Category
7	Coot	model fitting
12	RELION	3D reconstruction
13	REFMAC	model refinement

CTF correction

Type: PHASE FLIPPING AND AMPLITUDE CORRECTION

Symmetry

Point symmetry: O (octahedral

)

3D reconstruction

Resolution: 2.1 Å / Resolution method: FSC 0.143 CUT-OFF / Num. of particles: 41202 / Symmetry type: POINT

Atomic model building

PDB-ID: 4V1W

4v1w

Refinement

Resolution: 2→220.83 Å / Cor.coef. F_o:F_c: 0.829 / SU B: 1.588 / SU ML: 0.037 / ESU R: 0.077
Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES

	R_factor	Num. reflection	% reflection
R_work	0.3484	-	-
obs	0.3484	2820029	100 %

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: 29.175 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0 Å²	0 Å²	-0 Å²
2-	-	-0 Å²	-0 Å²
3-	-	-	-0 Å²

Refinement step

Cycle: 1 / Resolution: 2→220.83 Å / Total: 32736

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
ELECTRON MICROSCOPY	r_bond_refined_d	0.037	0.012	33264
ELECTRON MICROSCOPY	r_bond_other_d
ELECTRON MICROSCOPY	r_angle_refined_deg	5.566	1.627	44784
ELECTRON MICROSCOPY	r_angle_other_deg
ELECTRON MICROSCOPY	r_dihedral_angle_1_deg	8.394	5	4056
ELECTRON MICROSCOPY	r_dihedral_angle_2_deg	36.469	22.471	2040
ELECTRON MICROSCOPY	r_dihedral_angle_3_deg	20.604	15	6048
ELECTRON MICROSCOPY	r_dihedral_angle_4_deg	23.543	15	264
ELECTRON MICROSCOPY	r_chiral_restr	0.325	0.2	4056
ELECTRON MICROSCOPY	r_gen_planes_refined	0.033	0.02	25584
ELECTRON MICROSCOPY	r_gen_planes_other
ELECTRON MICROSCOPY	r_nbd_refined
ELECTRON MICROSCOPY	r_nbd_other
ELECTRON MICROSCOPY	r_nbtor_refined
ELECTRON MICROSCOPY	r_nbtor_other
ELECTRON MICROSCOPY	r_xyhbond_nbd_refined
ELECTRON MICROSCOPY	r_xyhbond_nbd_other
ELECTRON MICROSCOPY	r_metal_ion_refined
ELECTRON MICROSCOPY	r_metal_ion_other
ELECTRON MICROSCOPY	r_symmetry_vdw_refined
ELECTRON MICROSCOPY	r_symmetry_vdw_other
ELECTRON MICROSCOPY	r_symmetry_hbond_refined
ELECTRON MICROSCOPY	r_symmetry_hbond_other
ELECTRON MICROSCOPY	r_symmetry_metal_ion_refined
ELECTRON MICROSCOPY	r_symmetry_metal_ion_other
ELECTRON MICROSCOPY	r_mcbond_it	7.724	2.114	16296
ELECTRON MICROSCOPY	r_mcbond_other
ELECTRON MICROSCOPY	r_mcangle_it	10.514	3.234	20328
ELECTRON MICROSCOPY	r_mcangle_other
ELECTRON MICROSCOPY	r_scbond_it	15.117	3.184	16968
ELECTRON MICROSCOPY	r_scbond_other
ELECTRON MICROSCOPY	r_scangle_it
ELECTRON MICROSCOPY	r_scangle_other
ELECTRON MICROSCOPY	r_long_range_B_refined	20.657	44.748	151159
ELECTRON MICROSCOPY	r_long_range_B_other
ELECTRON MICROSCOPY	r_rigid_bond_restr
ELECTRON MICROSCOPY	r_sphericity_free
ELECTRON MICROSCOPY	r_sphericity_bonded

Refine LS restraints NCS

Number: 1364 / Refine-ID: ELECTRON MICROSCOPY

Ens-ID	Dom-ID	Auth asym-ID	Type	Rms dev position (Å)	Weight position
10	10	A	tight positional	0.01	0.24
11	11	A	tight positional	0.01	0.24
12	12	A	tight positional	0.01	0.24
13	13	A	tight positional	0.03	0.24
14	14	A	tight positional	0.03	0.24
15	15	A	tight positional	0.01	0.24
16	16	A	tight positional	0.03	0.24
17	17	A	tight positional	0.01	0.24
18	18	A	tight positional	0.01	0.24
19	19	A	tight positional	0.01	0.24
20	20	A	tight positional	0.01	0.24
21	21	A	tight positional	0.03	0.24
22	22	A	tight positional	0.01	0.24
23	23	A	tight positional	0.01	0.24
24	24	A	tight positional	0	0.24
25	25	A	tight positional	0.03	0.24
26	26	A	tight positional	0.01	0.24
27	27	A	tight positional	0.01	0.24
28	28	A	tight positional	0	0.24
29	29	A	tight positional	0	0.24
30	30	A	tight positional	0.01	0.24
31	31	A	tight positional	0.01	0.24
32	32	A	tight positional	0.01	0.24
33	33	A	tight positional	0	0.24
34	34	A	tight positional	0.01	0.24
35	35	A	tight positional	0.03	0.24
36	36	A	tight positional	0.03	0.24
37	37	A	tight positional	0.01	0.24
38	38	A	tight positional	0.03	0.24
39	39	A	tight positional	0	0.24
40	40	A	tight positional	0	0.24
41	41	A	tight positional	0	0.24
42	42	A	tight positional	0	0.24
43	43	A	tight positional	0.03	0.24
44	44	A	tight positional	0	0.24
45	45	A	tight positional	0.01	0.24
46	46	A	tight positional	0.03	0.24
47	47	A	tight positional	0.01	0.24
48	48	A	tight positional	0.01	0.24
49	49	A	tight positional	0	0.24
50	50	A	tight positional	0	0.24
51	51	A	tight positional	0.01	0.24
52	52	A	tight positional	0.01	0.24
53	53	A	tight positional	0	0.24
54	54	A	tight positional	0	0.24
55	55	A	tight positional	0.01	0.24
56	56	A	tight positional	0.03	0.24
57	57	A	tight positional	0.03	0.24
58	58	A	tight positional	0.01	0.24
59	59	A	tight positional	0.03	0.24
60	60	A	tight positional	0	0.24
61	61	A	tight positional	0	0.24
62	62	A	tight positional	0	0.24
63	63	A	tight positional	0	0.24
64	64	A	tight positional	0.03	0.24
65	65	A	tight positional	0	0.24
66	66	A	tight positional	0	0.24
67	67	A	tight positional	0.03	0.24
68	68	A	tight positional	0.03	0.24
69	69	A	tight positional	0.03	0.24
70	70	A	tight positional	0.03	0.24
71	71	A	tight positional	0.03	0.24
72	72	A	tight positional	0.03	0.24
73	73	A	tight positional	0.03	0.24
74	74	A	tight positional	0.03	0.24
75	75	A	tight positional	0.03	0.24
76	76	A	tight positional	0	0.24
77	77	A	tight positional	0	0.24
78	78	A	tight positional	0.03	0.24
79	79	A	tight positional	0	0.24
80	80	A	tight positional	0.03	0.24
81	81	A	tight positional	0.03	0.24
82	82	A	tight positional	0.03	0.24
83	83	A	tight positional	0.03	0.24
84	84	A	tight positional	0	0.24
85	85	A	tight positional	0.03	0.24
86	86	A	tight positional	0.03	0.24
87	87	A	tight positional	0	0.24
88	88	A	tight positional	0	0.24
89	89	A	tight positional	0.01	0.24
90	90	A	tight positional	0.01	0.24
91	91	A	tight positional	0	0.24
92	92	A	tight positional	0	0.24
93	93	A	tight positional	0	0.24
94	94	A	tight positional	0	0.24
95	95	A	tight positional	0.02	0.24
96	96	A	tight positional	0.03	0.24
97	97	A	tight positional	0	0.24
98	98	A	tight positional	0.03	0.24
99	99	A	tight positional	0	0.24
100	100	A	tight positional	0.01	0.24
101	101	A	tight positional	0	0.24
102	102	A	tight positional	0	0.24
103	103	A	tight positional	0.03	0.24
104	104	A	tight positional	0	0.24
105	105	A	tight positional	0	0.24
106	106	A	tight positional	0	0.24
107	107	A	tight positional	0.01	0.24
108	108	A	tight positional	0.01	0.24
109	109	A	tight positional	0	0.24
110	110	A	tight positional	0	0.24
111	111	A	tight positional	0	0.24
112	112	A	tight positional	0	0.24
113	113	A	tight positional	0.02	0.24
114	114	A	tight positional	0.03	0.24
115	115	A	tight positional	0	0.24
116	116	A	tight positional	0.03	0.24
117	117	A	tight positional	0	0.24
118	118	A	tight positional	0.01	0.24
119	119	A	tight positional	0	0.24
120	120	A	tight positional	0.01	0.24
121	121	A	tight positional	0.03	0.24
122	122	A	tight positional	0	0.24
123	123	A	tight positional	0	0.24
124	124	A	tight positional	0	0.24
125	125	A	tight positional	0	0.24
126	126	A	tight positional	0	0.24
127	127	A	tight positional	0	0.24
128	128	A	tight positional	0	0.24
129	129	A	tight positional	0	0.24
130	130	A	tight positional	0.02	0.24
131	131	A	tight positional	0.03	0.24
132	132	A	tight positional	0	0.24
133	133	A	tight positional	0.03	0.24
134	134	A	tight positional	0	0.24
135	135	A	tight positional	0	0.24
136	136	A	tight positional	0	0.24
137	137	A	tight positional	0	0.24
138	138	A	tight positional	0.03	0.24
139	139	A	tight positional	0	0.24
140	140	A	tight positional	0	0.24
141	141	A	tight positional	0.01	0.24
142	142	A	tight positional	0.01	0.24
143	143	A	tight positional	0.01	0.24
144	144	A	tight positional	0	0.24
145	145	A	tight positional	0.01	0.24
146	146	A	tight positional	0.03	0.24
147	147	A	tight positional	0.03	0.24
148	148	A	tight positional	0.01	0.24
149	149	A	tight positional	0.03	0.24
150	150	A	tight positional	0	0.24
151	151	A	tight positional	0	0.24
152	152	A	tight positional	0	0.24
153	153	A	tight positional	0	0.24
154	154	A	tight positional	0.03	0.24
155	155	A	tight positional	0.01	0.24
156	156	A	tight positional	0	0.24
157	157	A	tight positional	0	0.24
158	158	A	tight positional	0.01	0.24
159	159	A	tight positional	0	0.24
160	160	A	tight positional	0	0.24
161	161	A	tight positional	0.03	0.24
162	162	A	tight positional	0.03	0.24
163	163	A	tight positional	0	0.24
164	164	A	tight positional	0.03	0.24
165	165	A	tight positional	0.01	0.24
166	166	A	tight positional	0.01	0.24
167	167	A	tight positional	0.01	0.24
168	168	A	tight positional	0.01	0.24
169	169	A	tight positional	0.03	0.24
170	170	A	tight positional	0.01	0.24
171	171	A	tight positional	0.01	0.24
172	172	A	tight positional	0	0.24
173	173	A	tight positional	0	0.24
174	174	A	tight positional	0	0.24
175	175	A	tight positional	0.02	0.24
176	176	A	tight positional	0.03	0.24
177	177	A	tight positional	0	0.24
178	178	A	tight positional	0.03	0.24
179	179	A	tight positional	0	0.24
180	180	A	tight positional	0	0.24
181	181	A	tight positional	0.01	0.24
182	182	A	tight positional	0	0.24
183	183	A	tight positional	0.03	0.24
184	184	A	tight positional	0	0.24
185	185	A	tight positional	0	0.24
186	186	A	tight positional	0	0.24
187	187	A	tight positional	0	0.24
188	188	A	tight positional	0.02	0.24
189	189	A	tight positional	0.03	0.24
190	190	A	tight positional	0	0.24
191	191	A	tight positional	0.03	0.24
192	192	A	tight positional	0	0.24
193	193	A	tight positional	0	0.24
194	194	A	tight positional	0	0.24
195	195	A	tight positional	0	0.24
196	196	A	tight positional	0.03	0.24
197	197	A	tight positional	0	0.24
198	198	A	tight positional	0	0.24
199	199	A	tight positional	0	0.24
200	200	A	tight positional	0.02	0.24
201	201	A	tight positional	0.03	0.24
202	202	A	tight positional	0	0.24
203	203	A	tight positional	0.03	0.24
204	204	A	tight positional	0	0.24
205	205	A	tight positional	0	0.24
206	206	A	tight positional	0	0.24
207	207	A	tight positional	0	0.24
208	208	A	tight positional	0.03	0.24
209	209	A	tight positional	0	0.24
210	210	A	tight positional	0	0.24
211	211	A	tight positional	0.02	0.24
212	212	A	tight positional	0.03	0.24
213	213	A	tight positional	0	0.24
214	214	A	tight positional	0.03	0.24
215	215	A	tight positional	0	0.24
216	216	A	tight positional	0.01	0.24
217	217	A	tight positional	0.01	0.24
218	218	A	tight positional	0	0.24
219	219	A	tight positional	0.03	0.24
220	220	A	tight positional	0	0.24
221	221	A	tight positional	0	0.24
222	222	A	tight positional	0.01	0.24
223	223	A	tight positional	0.02	0.24
224	224	A	tight positional	0.01	0.24
225	225	A	tight positional	0.03	0.24
226	226	A	tight positional	0.03	0.24
227	227	A	tight positional	0.02	0.24
228	228	A	tight positional	0.03	0.24
229	229	A	tight positional	0	0.24
230	230	A	tight positional	0.02	0.24
231	231	A	tight positional	0.02	0.24
232	232	A	tight positional	0.03	0.24
233	233	A	tight positional	0	0.24
234	234	A	tight positional	0.03	0.24
235	235	A	tight positional	0.03	0.24
236	236	A	tight positional	0.03	0.24
237	237	A	tight positional	0.03	0.24
238	238	A	tight positional	0	0.24
239	239	A	tight positional	0.03	0.24
240	240	B	tight positional	0.03	0.24
241	241	B	tight positional	0.03	0.24
242	242	B	tight positional	0	0.24
243	243	B	tight positional	0	0.24
244	244	B	tight positional	0.01	0.24
245	245	B	tight positional	0	0.24
246	246	B	tight positional	0.03	0.24
247	247	B	tight positional	0	0.24
248	248	B	tight positional	0	0.24
249	249	B	tight positional	0.03	0.24
250	250	B	tight positional	0.03	0.24
251	251	B	tight positional	0.03	0.24
252	252	B	tight positional	0.03	0.24
253	253	B	tight positional	0	0.24
254	254	B	tight positional	0.03	0.24
255	255	B	tight positional	0.03	0.24
256	256	B	tight positional	0	0.24
257	257	B	tight positional	0	0.24
258	258	B	tight positional	0	0.24
259	259	B	tight positional	0.03	0.24
260	260	B	tight positional	0	0.24
261	261	B	tight positional	0	0.24
262	262	B	tight positional	0	0.24
263	263	B	tight positional	0	0.24
264	264	B	tight positional	0.03	0.24
265	265	B	tight positional	0	0.24
266	266	B	tight positional	0	0.24
267	267	B	tight positional	0	0.24
268	268	B	tight positional	0.03	0.24
269	269	B	tight positional	0	0.24
270	270	B	tight positional	0	0.24
271	271	B	tight positional	0.03	0.24
272	272	B	tight positional	0	0.24
273	273	B	tight positional	0	0.24
274	274	B	tight positional	0.03	0.24
275	275	B	tight positional	0.03	0.24
276	276	B	tight positional	0	0.24
1	1	A	tight thermal	0.28	2.4
2	2	A	tight thermal	0.25	2.4
3	3	A	tight thermal	1.08	2.4
4	4	A	tight thermal	0.31	2.4
5	5	A	tight thermal	0.3	2.4
6	6	A	tight thermal	0.29	2.4
7	7	A	tight thermal	0.28	2.4
8	8	A	tight thermal	0.36	2.4
9	9	A	tight thermal	0.32	2.4
10	10	A	tight thermal	0.28	2.4
11	11	A	tight thermal	0.3	2.4
12	12	A	tight thermal	0.29	2.4
13	13	A	tight thermal	1	2.4
14	14	A	tight thermal	1.07	2.4
15	15	A	tight thermal	0.3	2.4
16	16	A	tight thermal	1.07	2.4
17	17	A	tight thermal	0.27	2.4
18	18	A	tight thermal	0.28	2.4
19	19	A	tight thermal	0.25	2.4
20	20	A	tight thermal	0.28	2.4
21	21	A	tight thermal	1.07	2.4
22	22	A	tight thermal	0.31	2.4
23	23	A	tight thermal	0.28	2.4
24	24	B	tight thermal	0.11	2.4
25	25	B	tight thermal	1.07	2.4
26	26	B	tight thermal	0.16	2.4
27	27	B	tight thermal	0.19	2.4
28	28	B	tight thermal	0.15	2.4
29	29	B	tight thermal	0.12	2.4
30	30	B	tight thermal	0.25	2.4
31	31	B	tight thermal	0.17	2.4
32	32	B	tight thermal	0.16	2.4
33	33	B	tight thermal	0.16	2.4
34	34	B	tight thermal	0.15	2.4
35	35	B	tight thermal	0.99	2.4
36	36	B	tight thermal	1.07	2.4
37	37	B	tight thermal	0.16	2.4
38	38	B	tight thermal	1.06	2.4
39	39	B	tight thermal	0.1	2.4
40	40	B	tight thermal	0.1	2.4
41	41	B	tight thermal	0.13	2.4
42	42	B	tight thermal	0.07	2.4
43	43	B	tight thermal	1.06	2.4
44	44	B	tight thermal	0.15	2.4
45	45	B	tight thermal	0.16	2.4
46	46	C	tight thermal	1.07	2.4
47	47	C	tight thermal	0.16	2.4
48	48	C	tight thermal	0.18	2.4
49	49	C	tight thermal	0.14	2.4
50	50	C	tight thermal	0.12	2.4
51	51	C	tight thermal	0.26	2.4
52	52	C	tight thermal	0.19	2.4
53	53	C	tight thermal	0.13	2.4
54	54	C	tight thermal	0.16	2.4
55	55	C	tight thermal	0.14	2.4
56	56	C	tight thermal	0.99	2.4
57	57	C	tight thermal	1.06	2.4
58	58	C	tight thermal	0.16	2.4
59	59	C	tight thermal	1.06	2.4
60	60	C	tight thermal	0.08	2.4
61	61	C	tight thermal	0.11	2.4
62	62	C	tight thermal	0.1	2.4
63	63	C	tight thermal	0.1	2.4
64	64	C	tight thermal	1.06	2.4
65	65	C	tight thermal	0.15	2.4
66	66	C	tight thermal	0.14	2.4
67	67	D	tight thermal	1.06	2.4
68	68	D	tight thermal	1.05	2.4
69	69	D	tight thermal	1.07	2.4
70	70	D	tight thermal	1.08	2.4
71	71	D	tight thermal	1.07	2.4
72	72	D	tight thermal	1.06	2.4
73	73	D	tight thermal	1.07	2.4
74	74	D	tight thermal	1.07	2.4
75	75	D	tight thermal	1.07	2.4
76	76	D	tight thermal	0.12	2.4
77	77	D	tight thermal	0.08	2.4
78	78	D	tight thermal	1.06	2.4
79	79	D	tight thermal	0.09	2.4
80	80	D	tight thermal	1.07	2.4
81	81	D	tight thermal	1.08	2.4
82	82	D	tight thermal	1.07	2.4
83	83	D	tight thermal	1.08	2.4
84	84	D	tight thermal	0.09	2.4
85	85	D	tight thermal	1.07	2.4
86	86	D	tight thermal	1.07	2.4
87	87	E	tight thermal	0.12	2.4
88	88	E	tight thermal	0.09	2.4
89	89	E	tight thermal	0.17	2.4
90	90	E	tight thermal	0.18	2.4
91	91	E	tight thermal	0.12	2.4
92	92	E	tight thermal	0.11	2.4
93	93	E	tight thermal	0.1	2.4
94	94	E	tight thermal	0.07	2.4
95	95	E	tight thermal	0.98	2.4
96	96	E	tight thermal	1.05	2.4
97	97	E	tight thermal	0.07	2.4
98	98	E	tight thermal	1.05	2.4
99	99	E	tight thermal	0.16	2.4
100	100	E	tight thermal	0.16	2.4
101	101	E	tight thermal	0.17	2.4
102	102	E	tight thermal	0.15	2.4
103	103	E	tight thermal	1.05	2.4
104	104	E	tight thermal	0.09	2.4
105	105	E	tight thermal	0.11	2.4
106	106	F	tight thermal	0.13	2.4
107	107	F	tight thermal	0.21	2.4
108	108	F	tight thermal	0.18	2.4
109	109	F	tight thermal	0.13	2.4
110	110	F	tight thermal	0.16	2.4
111	111	F	tight thermal	0.13	2.4
112	112	F	tight thermal	0.12	2.4
113	113	F	tight thermal	0.97	2.4
114	114	F	tight thermal	1.05	2.4
115	115	F	tight thermal	0.12	2.4
116	116	F	tight thermal	1.04	2.4
117	117	F	tight thermal	0.18	2.4
118	118	F	tight thermal	0.18	2.4
119	119	F	tight thermal	0.19	2.4
120	120	F	tight thermal	0.18	2.4
121	121	F	tight thermal	1.04	2.4
122	122	F	tight thermal	0.14	2.4
123	123	F	tight thermal	0.14	2.4
124	124	G	tight thermal	0.18	2.4
125	125	G	tight thermal	0.18	2.4
126	126	G	tight thermal	0.14	2.4
127	127	G	tight thermal	0.11	2.4
128	128	G	tight thermal	0.08	2.4
129	129	G	tight thermal	0.07	2.4
130	130	G	tight thermal	0.98	2.4
131	131	G	tight thermal	1.06	2.4
132	132	G	tight thermal	0.09	2.4
133	133	G	tight thermal	1.05	2.4
134	134	G	tight thermal	0.15	2.4
135	135	G	tight thermal	0.16	2.4
136	136	G	tight thermal	0.16	2.4
137	137	G	tight thermal	0.14	2.4
138	138	G	tight thermal	1.05	2.4
139	139	G	tight thermal	0.09	2.4
140	140	G	tight thermal	0.09	2.4
141	141	H	tight thermal	0.28	2.4
142	142	H	tight thermal	0.2	2.4
143	143	H	tight thermal	0.15	2.4
144	144	H	tight thermal	0.18	2.4
145	145	H	tight thermal	0.17	2.4
146	146	H	tight thermal	1	2.4
147	147	H	tight thermal	1.07	2.4
148	148	H	tight thermal	0.18	2.4
149	149	H	tight thermal	1.06	2.4
150	150	H	tight thermal	0.11	2.4
151	151	H	tight thermal	0.1	2.4
152	152	H	tight thermal	0.13	2.4
153	153	H	tight thermal	0.11	2.4
154	154	H	tight thermal	1.06	2.4
155	155	H	tight thermal	0.16	2.4
156	156	H	tight thermal	0.18	2.4
157	157	I	tight thermal	0.15	2.4
158	158	I	tight thermal	0.22	2.4
159	159	I	tight thermal	0.18	2.4
160	160	I	tight thermal	0.19	2.4
161	161	I	tight thermal	0.99	2.4
162	162	I	tight thermal	1.06	2.4
163	163	I	tight thermal	0.17	2.4
164	164	I	tight thermal	1.06	2.4
165	165	I	tight thermal	0.25	2.4
166	166	I	tight thermal	0.25	2.4
167	167	I	tight thermal	0.26	2.4
168	168	I	tight thermal	0.24	2.4
169	169	I	tight thermal	1.06	2.4
170	170	I	tight thermal	0.19	2.4
171	171	I	tight thermal	0.2	2.4
172	172	J	tight thermal	0.16	2.4
173	173	J	tight thermal	0.12	2.4
174	174	J	tight thermal	0.12	2.4
175	175	J	tight thermal	0.97	2.4
176	176	J	tight thermal	1.05	2.4
177	177	J	tight thermal	0.11	2.4
178	178	J	tight thermal	1.04	2.4
179	179	J	tight thermal	0.18	2.4
180	180	J	tight thermal	0.17	2.4
181	181	J	tight thermal	0.19	2.4
182	182	J	tight thermal	0.17	2.4
183	183	J	tight thermal	1.04	2.4
184	184	J	tight thermal	0.13	2.4
185	185	J	tight thermal	0.16	2.4
186	186	K	tight thermal	0.12	2.4
187	187	K	tight thermal	0.1	2.4
188	188	K	tight thermal	0.99	2.4
189	189	K	tight thermal	1.06	2.4
190	190	K	tight thermal	0.11	2.4
191	191	K	tight thermal	1.06	2.4
192	192	K	tight thermal	0.13	2.4
193	193	K	tight thermal	0.15	2.4
194	194	K	tight thermal	0.16	2.4
195	195	K	tight thermal	0.15	2.4
196	196	K	tight thermal	1.06	2.4
197	197	K	tight thermal	0.11	2.4
198	198	K	tight thermal	0.12	2.4
199	199	L	tight thermal	0.07	2.4
200	200	L	tight thermal	0.98	2.4
201	201	L	tight thermal	1.06	2.4
202	202	L	tight thermal	0.08	2.4
203	203	L	tight thermal	1.05	2.4
204	204	L	tight thermal	0.16	2.4
205	205	L	tight thermal	0.16	2.4
206	206	L	tight thermal	0.17	2.4
207	207	L	tight thermal	0.15	2.4
208	208	L	tight thermal	1.05	2.4
209	209	L	tight thermal	0.11	2.4
210	210	L	tight thermal	0.12	2.4
211	211	M	tight thermal	0.98	2.4
212	212	M	tight thermal	1.06	2.4
213	213	M	tight thermal	0.07	2.4
214	214	M	tight thermal	1.05	2.4
215	215	M	tight thermal	0.14	2.4
216	216	M	tight thermal	0.15	2.4
217	217	M	tight thermal	0.16	2.4
218	218	M	tight thermal	0.14	2.4
219	219	M	tight thermal	1.06	2.4
220	220	M	tight thermal	0.09	2.4
221	221	M	tight thermal	0.11	2.4
222	222	N	tight thermal	0.13	2.4
223	223	N	tight thermal	0.98	2.4
224	224	N	tight thermal	0.12	2.4
225	225	N	tight thermal	0.99	2.4
226	226	N	tight thermal	0.99	2.4
227	227	N	tight thermal	0.98	2.4
228	228	N	tight thermal	0.99	2.4
229	229	N	tight thermal	0.11	2.4
230	230	N	tight thermal	0.98	2.4
231	231	N	tight thermal	0.99	2.4
232	232	O	tight thermal	1.05	2.4
233	233	O	tight thermal	0.08	2.4
234	234	O	tight thermal	1.06	2.4
235	235	O	tight thermal	1.07	2.4
236	236	O	tight thermal	1.06	2.4
237	237	O	tight thermal	1.07	2.4
238	238	O	tight thermal	0.11	2.4
239	239	O	tight thermal	1.06	2.4
240	240	O	tight thermal	1.06	2.4
241	241	P	tight thermal	1.04	2.4
242	242	P	tight thermal	0.16	2.4
243	243	P	tight thermal	0.16	2.4
244	244	P	tight thermal	0.17	2.4
245	245	P	tight thermal	0.15	2.4
246	246	P	tight thermal	1.05	2.4
247	247	P	tight thermal	0.09	2.4
248	248	P	tight thermal	0.11	2.4
249	249	Q	tight thermal	1.06	2.4
250	250	Q	tight thermal	1.06	2.4
251	251	Q	tight thermal	1.05	2.4
252	252	Q	tight thermal	1.06	2.4
253	253	Q	tight thermal	0.1	2.4
254	254	Q	tight thermal	1.05	2.4
255	255	Q	tight thermal	1.06	2.4
256	256	R	tight thermal	0.09	2.4
257	257	R	tight thermal	0.11	2.4
258	258	R	tight thermal	0.08	2.4
259	259	R	tight thermal	1.06	2.4
260	260	R	tight thermal	0.15	2.4
261	261	R	tight thermal	0.15	2.4
262	262	S	tight thermal	0.12	2.4
263	263	S	tight thermal	0.09	2.4
264	264	S	tight thermal	1.06	2.4
265	265	S	tight thermal	0.16	2.4
266	266	S	tight thermal	0.17	2.4
267	267	T	tight thermal	0.11	2.4
268	268	T	tight thermal	1.05	2.4
269	269	T	tight thermal	0.16	2.4
270	270	T	tight thermal	0.16	2.4
271	271	U	tight thermal	1.06	2.4
272	272	U	tight thermal	0.14	2.4
273	273	U	tight thermal	0.15	2.4
274	274	U	tight thermal	1.05	2.4
275	275	V	tight thermal	1.06	2.4
276	276	W	tight thermal	0.1	2.4

LS refinement shell

Resolution: 2→2.052 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0	0	-
R_work	3.076	207865	-
obs	-	-	100 %

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