PMSF-INHIBITED CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS

Method: X-RAY DIFFRACTION D_max: 84.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aur
deposition_date	1997-09-01
title	PMSF-INHIBITED CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS
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	25.90 Å
rg_electron	25.26 Å
i0	37558400.00
molecular_weight	48053.0 kDa
excluded_volume	60352 Å³
envelope_volume	71094 Å³
shell_volume	24296 Å³
envelope_diameter	86.3 Å
shell_rg	31.62 Å
envelope_rg	25.27 Å
shape_rg	25.23 Å
total_rg	26.08 Å
total_atoms	3384
n_residues	436
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	84.8 Å
rg_real	26.03 Å
rg_real_error	0.72 Å
i0_real	3.7560e+07
i0_real_error	5.9590e+05
rg_reciprocal	25.99 Å
i0_reciprocal	37560000.0000
total_estimate	0.8655
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.4 Å
skewness	0.466
kurtosis	-0.416
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	7202000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.805; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.930; Smooth: 0.903

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	81.490 Å
length_b	81.490 Å
length_c	144.530 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2540

description	CARBOXYLESTERASE
formula_weight	23901.2 kDa
ec_number	3.1.1.1
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	3578

PMSF-INHIBITED CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Pseudomonas fluorescens
ncbi_taxonomy_id	294
host_organism	Escherichia coli

description	phenylmethanesulfonic acid
formula_weight	172.2 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	194

fit	/app/data/saxs_computation/au/1aur/1aur.fit
pddf	/app/data/pr_computation/au/1aur/1aur.pr.out
profile	/app/data/saxs_computation/au/1aur/1aur.dat