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

Method: X-RAY DIFFRACTION D_max: 207.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1du4
deposition_date	2000-01-14
title	THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE OTHER STRUCTURE DETAILS
keywords	lipase, thermomyces linuginosa, interfacial activation, alpha-beta protein, 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	60.49 Å
rg_electron	59.91 Å
i0	203199000.00
molecular_weight	117220.0 kDa
excluded_volume	145210 Å³
envelope_volume	239930 Å³
shell_volume	32876 Å³
envelope_diameter	167.8 Å
shell_rg	68.88 Å
envelope_rg	54.57 Å
shape_rg	59.90 Å
total_rg	60.14 Å
total_atoms	8284
n_residues	1076
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	207.4 Å
rg_real	60.24 Å
rg_real_error	2.98 Å
i0_real	2.0320e+08
i0_real_error	4.2080e+06
rg_reciprocal	60.63 Å
i0_reciprocal	203300000.0000
total_estimate	0.6010
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	87.7 Å
skewness	-0.317
kurtosis	-0.900
angular_range	— – 0.1300 Å⁻¹
current_alpha	0.0000
highest_alpha	2962000.0000
n_real_points	27
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.000; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.809; Smooth: 0.000

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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	85.560 Å
length_b	171.160 Å
length_c	77.310 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.500 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.2260
r_free	0.3270

description	LIPASE
formula_weight	29342.5 kDa
ec_number	3.1.1.3
src_method	nat
entity_count	4

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8935

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

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	651

fit	/app/data/saxs_computation/du/1du4/1du4.fit
pddf	/app/data/pr_computation/du/1du4/1du4.pr.out
profile	/app/data/saxs_computation/du/1du4/1du4.dat