S235A MUTANT OF TEM1 BETA-LACTAMASE

Method: X-RAY DIFFRACTION D_max: 59.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1esu
deposition_date	2000-04-11
title	S235A MUTANT OF TEM1 BETA-LACTAMASE
keywords	SERINE BETA-LACTAMASE, HYDROLASE, ANTIBIOTIC RESISTANCE; 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	18.84 Å
rg_electron	17.60 Å
i0	15382200.00
molecular_weight	28980.0 kDa
excluded_volume	36056 Å³
envelope_volume	40014 Å³
shell_volume	18780 Å³
envelope_diameter	61.2 Å
shell_rg	24.13 Å
envelope_rg	17.89 Å
shape_rg	17.64 Å
total_rg	18.42 Å
total_atoms	2031
n_residues	263
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	59.0 Å
rg_real	18.73 Å
rg_real_error	0.27 Å
i0_real	1.5380e+07
i0_real_error	1.7570e+05
rg_reciprocal	18.74 Å
i0_reciprocal	15380000.0000
total_estimate	0.6994
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.8 Å
skewness	0.172
kurtosis	-0.372
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	3058000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 0.145; Positv: 1.000; Valcen: 0.991; Smooth: 0.985

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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	41.931 Å
length_b	63.245 Å
length_c	88.746 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	6.000 Å
r_factor	0.1620
r_work	0.1620
r_free	—

description	BETA-LACTAMASE
formula_weight	28926.0 kDa
ec_number	3.5.2.6
mutation	S235A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2168

S235A MUTANT OF TEM1 BETA-LACTAMASE

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	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	137

fit	/app/data/saxs_computation/es/1esu/1esu.fit
pddf	/app/data/pr_computation/es/1esu/1esu.pr.out
profile	/app/data/saxs_computation/es/1esu/1esu.dat