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1as4

CLEAVED ANTICHYMOTRYPSIN A349R

Method: X-RAY DIFFRACTION D_max: 72.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1as4
deposition_date	1997-08-12
title	CLEAVED ANTICHYMOTRYPSIN A349R
keywords	SERPIN, SERINE PROTEASE INHIBITOR, ANTICHYMOTRYPSIN; SERPIN
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	22.63 Å
rg_electron	21.29 Å
i0	27727900.00
molecular_weight	41876.0 kDa
excluded_volume	53091 Å³
envelope_volume	60747 Å³
shell_volume	23791 Å³
envelope_diameter	75.0 Å
shell_rg	28.17 Å
envelope_rg	21.62 Å
shape_rg	21.27 Å
total_rg	22.23 Å
total_atoms	2949
n_residues	369
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	72.3 Å
rg_real	22.61 Å
rg_real_error	0.38 Å
i0_real	2.7730e+07
i0_real_error	3.6190e+05
rg_reciprocal	22.61 Å
i0_reciprocal	27730000.0000
total_estimate	0.8910
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.355
kurtosis	-0.296
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7486000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ANTICHYMOTRYPSIN
formula_weight	38612.1 kDa
mutation	A349R
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3006

THVDLGLASANVDFAFSLYKQLVLKAPDKNVIFSPLSISTALAFLSLGAHNTTLTEILKGLKFNLTETSEAEIHQSFQHLLRTLNQSSDELQLSMGNAMFVKEQLSLLDRFTEDAKRLYGSEAFATDFQDSAAAKKLINDYVKNGTRGKITDLIKDLDSQTMMVLVNYIFFKAKWEMPFDPQDTHQSRFYLSKKKWVMVPMMSLHHLTIPYFRDEELSCTVVELKYTGNASALFILPDQDKMEEVEAMLLPETLKRWRDSLEFREIGELYLPKFSISRDYNLNDILLQLGIEEAFTSKADLSGITGARNLAVSQVVHKAVLDVFEEGTEASRATAVKITLL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	ANTICHYMOTRYPSIN
formula_weight	4259.0 kDa
mutation	A349R
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

VETGTIVRFNRPFLMIIVPTDTQNIFFMSKVTNPKQA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	57

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6. Citations (2)

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length_a	71.700 Å
length_b	78.350 Å
length_c	79.230 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	20.000 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2400

fit	/app/data/saxs_computation/as/1as4/1as4.fit
pddf	/app/data/pr_computation/as/1as4/1as4.pr.out
profile	/app/data/saxs_computation/as/1as4/1as4.dat

CLEAVED ANTICHYMOTRYPSIN A349R

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 (2)

7. Files & Curves (10)

Files (7)

Curves (3)