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1ezs

CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II

Method: X-RAY DIFFRACTION D_max: 109.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ezs
deposition_date	2000-05-11
title	CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II
keywords	protein-protein interactions, macromolecular complex, protease inhibitor, HYDROLASE-INHIBITOR COMPLEX; HYDROLASE/INHIBITOR
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	32.81 Å
rg_electron	32.56 Å
i0	92733600.00
molecular_weight	74845.0 kDa
excluded_volume	92905 Å³
envelope_volume	120350 Å³
shell_volume	33056 Å³
envelope_diameter	113.8 Å
shell_rg	37.07 Å
envelope_rg	31.75 Å
shape_rg	32.54 Å
total_rg	33.01 Å
total_atoms	5246
n_residues	696
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	109.8 Å
rg_real	33.16 Å
rg_real_error	0.83 Å
i0_real	9.2730e+07
i0_real_error	1.5330e+06
rg_reciprocal	33.02 Å
i0_reciprocal	92720000.0000
total_estimate	0.8374
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.7 Å
skewness	0.503
kurtosis	-0.423
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	26160000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.748; Smooth: 0.726

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ECOTIN
formula_weight	15909.3 kDa
mutation	M84R, W67A, G68A, Y69A, D70A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5332

AESVQPLEKIAPYPQAEKGMKRQVIQLTPQEDESTLKVELLIGQTLEVDCNLHRLGGKLENKTLEGAAAAYYVFDKVSSPVSTRMACPDGKKEKKFVTAYLGDAGMLRYNSKLPIVVYTPDNVDVKYRVWKAEEKIDNAVVR

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	TRYPSIN II, ANIONIC
formula_weight	23814.8 kDa
ec_number	3.4.21.4
mutation	D102N
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGDEQFVNAAKIIKHPNFDRKTLNNNIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Saccharomyces cerevisiae

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	86

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6. Citations (1)

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length_a	45.828 Å
length_b	59.682 Å
length_c	71.044 Å
angle_alpha	103.57 °
angle_beta	93.27 °
angle_gamma	94.62 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.300 Å
resolution_low	25.000 Å
r_factor	0.1880
r_work	0.1880
r_free	0.2350

fit	/app/data/saxs_computation/ez/1ezs/1ezs.fit
pddf	/app/data/pr_computation/ez/1ezs/1ezs.pr.out
profile	/app/data/saxs_computation/ez/1ezs/1ezs.dat

CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)