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1ehk

CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS

Method: X-RAY DIFFRACTION D_max: 86.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ehk
deposition_date	2000-02-21
title	CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS
keywords	cytochrome-c oxidase, membrane protein, Thermus thermophilus, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	26.82 Å
rg_electron	25.51 Å
i0	88643500.00
molecular_weight	85018.0 kDa
excluded_volume	110690 Å³
envelope_volume	119790 Å³
shell_volume	37311 Å³
envelope_diameter	89.8 Å
shell_rg	34.52 Å
envelope_rg	26.03 Å
shape_rg	25.49 Å
total_rg	26.55 Å
total_atoms	6025
n_residues	743
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	86.2 Å
rg_real	26.75 Å
rg_real_error	0.50 Å
i0_real	8.8640e+07
i0_real_error	1.0850e+06
rg_reciprocal	26.77 Å
i0_reciprocal	88640000.0000
total_estimate	0.6643
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	32.1 Å
skewness	0.317
kurtosis	-0.307
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	22620000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 0.089; Positv: 1.000; Valcen: 1.000; Smooth: 0.754

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

Entity 1 polymer

description	BA3-TYPE CYTOCHROME-C OXIDASE
formula_weight	62573.1 kDa
ec_number	1.9.3.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6144

MAVRASEISRVYEAYPEKKATLYFLVLGFLALIVGSLFGPFQALNYGNVDAYPLLKRLLPFVQSYYQGLTLHGVLNAIVFTQLFAQAIMVYLPARELNMRPNMGLMWLSWWMAFIGLVVAALPLLANEATVLYTFYPPLKGHWAFYLGASVFVLSTWVSIYIVLDLWRRWKAANPGKVTPLVTYMAVVFWLMWFLASLGLVLEAVLFLLPWSFGLVEGVDPLVARTLFWWTGHPIVYFWLLPAYAIIYTILPKQAGGKLVSDPMARLAFLLFLLLSTPVGFHHQFADPGIDPTWKMIHSVLTLFVAVPSLMTAFTVAASLEFAGRLRGGRGLFGWIRALPWDNPAFVAPVLGLLGFIPGGAGGIVNASFTLDYVVHNTAWVPGHFHLQVASLVTLTAMGSLYWLLPNLTGKPISDAQRRLGLAVVWLWFLGMMIMAVGLHWAGLLNVPRRAYIAQVPDAYPHAAVPMVFNVLAGIVLLVALLLFIYGLFSVLLSRERKPELAEAPLPFAEVISGPEDRRLVLAMDRIGFWFAVAAILVVLAYGPTLVQLFGHLNPVPGWRLW

Entity 2 polymer

description	BA3-TYPE CYTOCHROME-C OXIDASE
formula_weight	18581.3 kDa
ec_number	1.9.3.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MVDEHKAHKAILAYEKGWLAFSLAMLFVFIALIAYTLATHTAGVIPAGKLERVDPTTVRQEGPWADPAQAVVQTGPNQYTVYVLAFAFGYQPNPIEVPQGAEIVFKITSPDVIHGFHVEGTNINVEVLPGEVSTVRYTFKRPGEYRIICNQYCGLGHQNMFGTIVVKE

Entity 3 polymer

description	BA3-TYPE CYTOCHROME-C OXIDASE
formula_weight	3638.4 kDa
ec_number	1.9.3.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

EEKPKGALAVILVLTLTILVFWLGVYAVFFARG

Entity 4 non-polymer

description	nonyl beta-D-glucopyranoside
formula_weight	306.4 kDa
src_method	man
entity_count	3

Entity 5 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	HEME-AS
formula_weight	921.0 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

description	DINUCLEAR COPPER ION
formula_weight	127.1 kDa
src_method	syn
entity_count	1

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	119

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6. Citations (1)

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length_a	112.110 Å
length_b	112.110 Å
length_c	161.410 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	0.2220
r_work	0.2220
r_free	0.2640

fit	/app/data/saxs_computation/eh/1ehk/1ehk.fit
pddf	/app/data/pr_computation/eh/1ehk/1ehk.pr.out
profile	/app/data/saxs_computation/eh/1ehk/1ehk.dat

CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (9)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 non-polymer

Entity 9 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)