THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE

Method: X-RAY DIFFRACTION D_max: 114.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dte
deposition_date	2000-01-12
title	THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE
keywords	lipase, thermomyces linuginosa, interfacial activation, alpa-beta structure, 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	40.76 Å
rg_electron	40.61 Å
i0	53737400.00
molecular_weight	58611.0 kDa
excluded_volume	72605 Å³
envelope_volume	101780 Å³
shell_volume	20421 Å³
envelope_diameter	118.7 Å
shell_rg	48.85 Å
envelope_rg	38.19 Å
shape_rg	40.59 Å
total_rg	41.08 Å
total_atoms	4142
n_residues	538
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	114.3 Å
rg_real	41.04 Å
rg_real_error	1.13 Å
i0_real	5.3740e+07
i0_real_error	1.0300e+06
rg_reciprocal	40.76 Å
i0_reciprocal	53720000.0000
total_estimate	0.5478
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.107
kurtosis	-1.523
angular_range	— – 0.1950 Å⁻¹
current_alpha	0.0000
highest_alpha	5965000.0000
n_real_points	40
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.008; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.094; Smooth: 0.001

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	96.127 Å
length_b	71.096 Å
length_c	82.830 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	2.350 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2630
r_free	0.3520

description	LIPASE
formula_weight	29342.5 kDa
ec_number	3.1.1.3
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4428

THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE

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 (2)

Entity 1 polymer

Polymer

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	286

fit	/app/data/saxs_computation/dt/1dte/1dte.fit
pddf	/app/data/pr_computation/dt/1dte/1dte.pr.out
profile	/app/data/saxs_computation/dt/1dte/1dte.dat