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1ezm

THREE-DIMENSIONAL STRUCTURE OF THE ELASTASE OF PSEUDOMONAS AERUGINOSA AT 1.5 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 63.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ezm
deposition_date	1992-01-13
title	THREE-DIMENSIONAL STRUCTURE OF THE ELASTASE OF PSEUDOMONAS AERUGINOSA AT 1.5 ANGSTROMS RESOLUTION
keywords	HYDROLASE; HYDROLASE
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	19.79 Å
rg_electron	18.82 Å
i0	19815200.00
molecular_weight	32470.0 kDa
excluded_volume	39837 Å³
envelope_volume	44142 Å³
shell_volume	19618 Å³
envelope_diameter	64.9 Å
shell_rg	24.98 Å
envelope_rg	18.98 Å
shape_rg	18.79 Å
total_rg	19.68 Å
total_atoms	2287
n_residues	298
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	63.0 Å
rg_real	19.72 Å
rg_real_error	0.32 Å
i0_real	1.9820e+07
i0_real_error	2.2890e+05
rg_reciprocal	19.73 Å
i0_reciprocal	19820000.0000
total_estimate	0.8902
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.267
kurtosis	-0.406
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	4779000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.888; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.907

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PSEUDOMONAS ELASTASE
formula_weight	33175.5 kDa
ec_number	3.4.24.26
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2444

AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL

Source

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	157

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6. Citations (1)

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length_a	41.900 Å
length_b	90.000 Å
length_c	40.800 Å
angle_alpha	90.00 °
angle_beta	113.80 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.500 Å
resolution_low	— Å
r_factor	0.1760
r_work	0.1760
r_free	—

fit	/app/data/saxs_computation/ez/1ezm/1ezm.fit
pddf	/app/data/pr_computation/ez/1ezm/1ezm.pr.out
profile	/app/data/saxs_computation/ez/1ezm/1ezm.dat