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

Method: X-RAY DIFFRACTION D_max: 86.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ein
deposition_date	2000-02-26
title	THE STRUCTURAL ORIGINS OF INTERFACIAL ACTIVATION IN THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE
keywords	alpha-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	28.87 Å
rg_electron	27.75 Å
i0	130305000.00
molecular_weight	89425.0 kDa
excluded_volume	111430 Å³
envelope_volume	128900 Å³
shell_volume	37640 Å³
envelope_diameter	84.7 Å
shell_rg	36.09 Å
envelope_rg	27.72 Å
shape_rg	27.75 Å
total_rg	28.51 Å
total_atoms	6315
n_residues	807
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	86.6 Å
rg_real	28.72 Å
rg_real_error	0.38 Å
i0_real	1.3030e+08
i0_real_error	1.7320e+06
rg_reciprocal	28.79 Å
i0_reciprocal	130300000.0000
total_estimate	0.9146
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	34.6 Å
skewness	0.094
kurtosis	-0.662
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	25680000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.972; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.975

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	135.950 Å
length_b	135.950 Å
length_c	149.990 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	P 65
int_tables_number	170
crystal_system	—

resolution	3.000 Å
resolution_low	27.400 Å
r_factor	—
r_work	0.2100
r_free	0.2410

description	LIPASE
formula_weight	29342.5 kDa
ec_number	3.1.1.3
src_method	nat
entity_count	3

type	polypeptide(L)
strand_id	A,B,C
atom_count	6499

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	DIUNDECYL PHOSPHATIDYL CHOLINE
formula_weight	622.8 kDa
src_method	syn
entity_count	3

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	184

fit	/app/data/saxs_computation/ei/1ein/1ein.fit
pddf	/app/data/pr_computation/ei/1ein/1ein.pr.out
profile	/app/data/saxs_computation/ei/1ein/1ein.dat