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1cqi

Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase

Method: X-RAY DIFFRACTION D_max: 119.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cqi
deposition_date	1999-08-06
title	Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase
keywords	ATP-GRASP FOLD, ROSSMANN FOLD, LIGASE; LIGASE
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	36.27 Å
rg_electron	36.14 Å
i0	314899000.00
molecular_weight	143500.0 kDa
excluded_volume	179840 Å³
envelope_volume	232710 Å³
shell_volume	53438 Å³
envelope_diameter	121.8 Å
shell_rg	42.85 Å
envelope_rg	35.54 Å
shape_rg	36.14 Å
total_rg	36.55 Å
total_atoms	10054
n_residues	1342
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	119.2 Å
rg_real	36.27 Å
rg_real_error	0.86 Å
i0_real	3.1490e+08
i0_real_error	5.7850e+06
rg_reciprocal	36.27 Å
i0_reciprocal	314900000.0000
total_estimate	0.8842
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	40.6 Å
skewness	0.355
kurtosis	-0.383
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	85380000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.854

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (SUCCINYL-COA SYNTHETASE ALPHA CHAIN)
formula_weight	29436.9 kDa
ec_number	6.2.1.5
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	10054

SILIDKNTKVICQGFTGSQGTFHSEQAIAYGTKMVGGVTPGKGGTTHLGLPVFNTVREAVAATGATASVIYVPAPFCKDSILEAIDAGIKLIITITEGIPTLDMLTVKVKLDEAGVRMIGPNCPGVITPGECKIGIQPGHIHKPGKVGIVSRSGTLTYEAVKQTTDYGFGQSTCVGIGGDPIPGSNFIDILEMFEKDPQTEAIVMIGEIGGSAEEEAAAYIKEHVTKPVVGYIAGVTAPKGKRMGHAGAIIAGGKGTADEKFAALEAAGVKTVRSLADIGEALKTV

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (SUCCINYL-COA SYNTHETASE BETA CHAIN)
formula_weight	41123.2 kDa
ec_number	6.2.1.5
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,E

MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKAGGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILVEAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

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6. Citations (4)

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length_a	99.860 Å
length_b	99.860 Å
length_c	407.150 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 2 2
int_tables_number	95
crystal_system	—

resolution	3.300 Å
resolution_low	20.000 Å
r_factor	0.1910
r_work	0.1910
r_free	0.2470

fit	/app/data/saxs_computation/cq/1cqi/1cqi.fit
pddf	/app/data/pr_computation/cq/1cqi/1cqi.pr.out
profile	/app/data/saxs_computation/cq/1cqi/1cqi.dat

Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)