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1cqj

CRYSTAL STRUCTURE OF DEPHOSPHORYLATED E. COLI SUCCINYL-COA SYNTHETASE

Method: X-RAY DIFFRACTION D_max: 116.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cqj
deposition_date	1999-08-06
title	CRYSTAL STRUCTURE OF 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	35.93 Å
rg_electron	35.76 Å
i0	310562000.00
molecular_weight	143050.0 kDa
excluded_volume	179510 Å³
envelope_volume	224030 Å³
shell_volume	52148 Å³
envelope_diameter	119.4 Å
shell_rg	42.42 Å
envelope_rg	35.08 Å
shape_rg	35.76 Å
total_rg	36.19 Å
total_atoms	10025
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	116.8 Å
rg_real	35.93 Å
rg_real_error	0.87 Å
i0_real	3.1060e+08
i0_real_error	5.5380e+06
rg_reciprocal	35.93 Å
i0_reciprocal	310600000.0000
total_estimate	0.8847
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	39.8 Å
skewness	0.350
kurtosis	-0.408
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	74540000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.812

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	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	10355

SILIDKNTKVICQGFTGSQGTFHSEQAIAYGTKMVGGVTPGKGGTTHLGLPVFNTVREAVAATGATASVIYVPAPFCKDSILEAIDAGIKLIITITEGIPTLDMLTVKVKLDEAGVRMIGPNCPGVITPGECKIGIQPGHIHKPGKVGIVSRSGTLTYEAVKQTTDYGFGQSTCVGIGGDPIPGSNFIDILEMFEKDPQTEAIVMIGEIGGSAEEEAAAYIKEHVTKPVVGYIAGVTAPKGKRMGHAGAIIAGGKGTADEKFAALEAAGVKTVRSLADIGEALKTV

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	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	4

Entity 4 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	330

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6. Citations (4)

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length_a	98.820 Å
length_b	98.820 Å
length_c	404.680 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	2.900 Å
resolution_low	20.000 Å
r_factor	0.1780
r_work	0.1720
r_free	0.2280

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

CRYSTAL STRUCTURE OF 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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)