THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY

Method: X-RAY DIFFRACTION D_max: 104.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dof
deposition_date	1999-12-20
title	THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY
keywords	purine biosynthesis, 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	34.22 Å
rg_electron	33.16 Å
i0	413729000.00
molecular_weight	168400.0 kDa
excluded_volume	212280 Å³
envelope_volume	245800 Å³
shell_volume	58638 Å³
envelope_diameter	106.4 Å
shell_rg	42.25 Å
envelope_rg	33.45 Å
shape_rg	33.13 Å
total_rg	33.86 Å
total_atoms	11872
n_residues	1540
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	104.5 Å
rg_real	34.04 Å
rg_real_error	0.64 Å
i0_real	4.1370e+08
i0_real_error	6.6400e+06
rg_reciprocal	34.15 Å
i0_reciprocal	413800000.0000
total_estimate	0.9092
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	43.2 Å
skewness	0.131
kurtosis	-0.613
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	243700000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.978

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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	65.620 Å
length_b	150.310 Å
length_c	173.010 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.2030
r_free	0.2450

description	ADENYLOSUCCINATE LYASE
formula_weight	45423.2 kDa
ec_number	4.3.2.2
src_method	man
entity_count	4

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12664

THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY

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

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Pyrobaculum aerophilum
ncbi_taxonomy_id	13773
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	792

fit	/app/data/saxs_computation/do/1dof/1dof.fit
pddf	/app/data/pr_computation/do/1dof/1dof.pr.out
profile	/app/data/saxs_computation/do/1dof/1dof.dat