THE CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE COMPLEXED WITH 2S-CARBOXYPROPYL COA

Method: X-RAY DIFFRACTION D_max: 63.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ef9
deposition_date	2000-02-07
title	THE CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE COMPLEXED WITH 2S-CARBOXYPROPYL COA
keywords	methylmalonyl coa decarboxylase, 2S-carboxypropyl, LYASE; LYASE
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	19.90 Å
rg_electron	18.65 Å
i0	16260100.00
molecular_weight	30019.0 kDa
excluded_volume	37502 Å³
envelope_volume	44402 Å³
shell_volume	19867 Å³
envelope_diameter	63.8 Å
shell_rg	24.94 Å
envelope_rg	18.88 Å
shape_rg	18.66 Å
total_rg	19.57 Å
total_atoms	2104
n_residues	261
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	63.6 Å
rg_real	19.79 Å
rg_real_error	0.33 Å
i0_real	1.6260e+07
i0_real_error	1.9420e+05
rg_reciprocal	19.81 Å
i0_reciprocal	16260000.0000
total_estimate	0.8874
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.235
kurtosis	-0.283
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	3153000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	85.700 Å
length_b	142.400 Å
length_c	89.700 Å
angle_alpha	90.00 °
angle_beta	109.20 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	30.000 Å
r_factor	0.1900
r_work	—
r_free	—

description	METHYLMALONYL COA DECARBOXYLASE
formula_weight	29206.6 kDa
ec_number	4.1.1.41
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2104

THE CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE COMPLEXED WITH 2S-CARBOXYPROPYL COA

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 (2)

Entity 1 polymer

Polymer

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	2-CARBOXYPROPYL-COENZYME A
formula_weight	853.6 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/ef/1ef9/1ef9.fit
pddf	/app/data/pr_computation/ef/1ef9/1ef9.pr.out
profile	/app/data/saxs_computation/ef/1ef9/1ef9.dat