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1ci8

ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.

Method: X-RAY DIFFRACTION D_max: 100.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ci8
deposition_date	1999-04-08
title	ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.
keywords	ESTERASE, LACTAMASE FOLD, 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	29.99 Å
rg_electron	29.30 Å
i0	104083000.00
molecular_weight	80446.0 kDa
excluded_volume	100640 Å³
envelope_volume	119320 Å³
shell_volume	34295 Å³
envelope_diameter	106.6 Å
shell_rg	35.94 Å
envelope_rg	29.21 Å
shape_rg	29.33 Å
total_rg	29.81 Å
total_atoms	5686
n_residues	754
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	100.5 Å
rg_real	30.06 Å
rg_real_error	0.70 Å
i0_real	1.0410e+08
i0_real_error	1.5900e+06
rg_reciprocal	30.03 Å
i0_reciprocal	104100000.0000
total_estimate	0.8674
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.415
kurtosis	-0.440
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	41080000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.796; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.927

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CARBOXYLESTERASE)
formula_weight	41751.2 kDa
ec_number	3.1.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6044

MTAASLDPTAFSLDAASLAARLDAVFDQALRERRLVGAVAIVARHGEILYRRAQGLADREAGRPMREDTLFRLASVTKPIVALAVLRLVARGELALDAPVTRWLPEFRPRLADGSEPLVTIHHLLTHTSGLGYWLLEGAGSVYDRLGISDGIDLRDFDLDENLRRLASAPLSFAPGSGWQYSLALDVLGAVVERATGQPLAAAVDALVAQPLGMRDCGFVSAEPERFAVPYHDGQPEPVRMRDGIEVPLPEGHGAAVRFAPSRVFEPGAYPSGGAGMYGSADDVLRALEAIRANPGFLPETLADAARRDQAGVGAETRGPGWGFGYLSAVLDDPAAAGTPQHAGTLQWGGVYGHSWFVDRALGLSVLLLTNTAYEGMSGPLTIALRDAVYAR

Source

organism	Burkholderia gladioli
ncbi_taxonomy_id	28095
host_organism	Escherichia coli

Entity 2 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	353

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6. Citations (2)

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length_a	82.922 Å
length_b	82.922 Å
length_c	193.460 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.000 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1840
r_free	0.2470

fit	/app/data/saxs_computation/ci/1ci8/1ci8.fit
pddf	/app/data/pr_computation/ci/1ci8/1ci8.pr.out
profile	/app/data/saxs_computation/ci/1ci8/1ci8.dat

ESTERASE ESTB FROM BURKHOLDERIA GLADIOLI: AN ESTERASE WITH (BETA)-LACTAMASE FOLD.

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