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

Method: X-RAY DIFFRACTION D_max: 90.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dt3
deposition_date	2000-01-11
title	THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE
keywords	lipase, thermomyces linuginosa, interfacial activation, 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	27.63 Å
rg_electron	27.22 Å
i0	58950000.00
molecular_weight	58611.0 kDa
excluded_volume	72605 Å³
envelope_volume	84219 Å³
shell_volume	27036 Å³
envelope_diameter	93.3 Å
shell_rg	33.08 Å
envelope_rg	27.21 Å
shape_rg	27.19 Å
total_rg	27.88 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	90.6 Å
rg_real	27.85 Å
rg_real_error	0.74 Å
i0_real	5.8950e+07
i0_real_error	8.5930e+05
rg_reciprocal	27.78 Å
i0_reciprocal	58950000.0000
total_estimate	0.6588
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.0 Å
skewness	0.508
kurtosis	-0.409
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	19970000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.763; Stabil: 1.000; Sysdev: 0.177; Positv: 1.000; Valcen: 0.884; Smooth: 0.857

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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	139.920 Å
length_b	139.920 Å
length_c	80.680 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.2280
r_work	0.2280
r_free	0.2880

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	4384

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	242

fit	/app/data/saxs_computation/dt/1dt3/1dt3.fit
pddf	/app/data/pr_computation/dt/1dt3/1dt3.pr.out
profile	/app/data/saxs_computation/dt/1dt3/1dt3.dat