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1aql

CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE

Method: X-RAY DIFFRACTION D_max: 99.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aql
deposition_date	1997-07-30
title	CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE
keywords	HYDROLASE, SERINE ESTERASE, LIPID DEGRADATION, GLYCOPROTEIN; 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	33.30 Å
rg_electron	32.21 Å
i0	216722000.00
molecular_weight	120440.0 kDa
excluded_volume	151650 Å³
envelope_volume	188070 Å³
shell_volume	47650 Å³
envelope_diameter	101.1 Å
shell_rg	40.25 Å
envelope_rg	31.49 Å
shape_rg	32.22 Å
total_rg	32.83 Å
total_atoms	8498
n_residues	1064
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	99.9 Å
rg_real	33.15 Å
rg_real_error	0.50 Å
i0_real	2.1670e+08
i0_real_error	3.2120e+06
rg_reciprocal	33.24 Å
i0_reciprocal	216700000.0000
total_estimate	0.9166
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	41.6 Å
skewness	0.095
kurtosis	-0.686
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	38680000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.979; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BILE-SALT ACTIVATED LIPASE
formula_weight	59065.5 kDa
ec_number	3.1.1.13
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8498

AKLGSVYTEGGFVEGVNKKLSLFGDSIDIFKGIPFAAAPKALEKPERHPGWQGTLKAKSFKKRCLQATLTQDSTYGNEDCLYLNIWVPQGRKEVSHDLPVMIWIYGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDSNLPGNYGLWDQHMAIAWVKRNIEAFGGDPDNITLFGESAGGASVSLQTLSPYNKGLIKRAISQSGVGLCPWAIQQDPLFWAKRIAEKVGCPVDDTSKMAGCLKITDPRALTLAYKLPLGSTEYPKLHYLSFVPVIDGDFIPDDPVNLYANAADVDYIAGTNDMDGHLFVGMDVPAINSNKQDVTEEDFYKLVSGLTVTKGLRGANATYEVYTEPWAQDSSQETRKKTMVDLETDILFLIPTKIAVAQHKSHAKSANTYTYLFSQPSRMPIYPKWMGADHADDLQYVFGKPFATPLGYRAQDRTVSKAMIAYWTNFARTGDPNTGHSTVPANWDPYTLEDDNYLEINKQMDSNSMKLHLRTNYLQFWTQTYQALPTV

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	TAUROCHOLIC ACID
formula_weight	515.7 kDa
src_method	syn
entity_count	4

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6. Citations (1)

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length_a	130.230 Å
length_b	104.090 Å
length_c	120.180 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.2110
r_work	0.2110
r_free	0.2750

fit	/app/data/saxs_computation/aq/1aql/1aql.fit
pddf	/app/data/pr_computation/aq/1aql/1aql.pr.out
profile	/app/data/saxs_computation/aq/1aql/1aql.dat

CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE

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

Entity 2 non-polymer

Entity 3 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)