SAXSdb — 1ezx

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1. Structure Basics

entry_id	1ezx
deposition_date	2000-05-12
title	CRYSTAL STRUCTURE OF A SERPIN:PROTEASE COMPLEX
keywords	protease-inhibitor complex, serpin, alpha-1-antitrypsin, trypsin, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/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	27.70 Å
rg_electron	27.06 Å
i0	48585800.00
molecular_weight	55499.0 kDa
excluded_volume	69942 Å³
envelope_volume	85553 Å³
shell_volume	27758 Å³
envelope_diameter	97.8 Å
shell_rg	33.01 Å
envelope_rg	27.19 Å
shape_rg	27.00 Å
total_rg	27.88 Å
total_atoms	3903
n_residues	511
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	95.0 Å
rg_real	27.87 Å
rg_real_error	0.69 Å
i0_real	4.8590e+07
i0_real_error	6.8480e+05
rg_reciprocal	27.82 Å
i0_reciprocal	48580000.0000
total_estimate	0.8568
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.505
kurtosis	-0.242
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	10430000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.779; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.892; Smooth: 0.904

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA-1-ANTITRYPSIN
formula_weight	37692.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3984

NKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGFQELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQINDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKAVLTIDEKGTEAAGAMFLEAIPM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	ALPHA-1-ANTITRYPSIN
formula_weight	4139.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	TRYPSIN
formula_weight	25444.7 kDa
ec_number	3.4.21.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

FIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	81

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6. Citations (1)

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length_a	63.234 Å
length_b	171.295 Å
length_c	145.780 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.600 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.2049
r_free	0.2388

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

CRYSTAL STRUCTURE OF A SERPIN:PROTEASE COMPLEX

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 polymer

Polymer

Source

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)