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1d5s

CRYSTAL STRUCTURE OF CLEAVED ANTITRYPSIN POLYMER

Method: X-RAY DIFFRACTION D_max: 85.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d5s
deposition_date	1999-10-11
title	CRYSTAL STRUCTURE OF CLEAVED ANTITRYPSIN POLYMER
keywords	SERPIN FOLD, RCL CLEAVAGE, A BETA SHEET POLYMERISATION, HYDROLASE INHIBITOR; 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	23.01 Å
rg_electron	21.75 Å
i0	28099900.00
molecular_weight	42282.0 kDa
excluded_volume	53638 Å³
envelope_volume	63719 Å³
shell_volume	24418 Å³
envelope_diameter	85.9 Å
shell_rg	28.66 Å
envelope_rg	22.49 Å
shape_rg	21.72 Å
total_rg	22.74 Å
total_atoms	2984
n_residues	375
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	85.1 Å
rg_real	23.01 Å
rg_real_error	0.84 Å
i0_real	2.8100e+07
i0_real_error	3.9900e+05
rg_reciprocal	23.01 Å
i0_reciprocal	28100000.0000
total_estimate	0.8183
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.5 Å
skewness	0.445
kurtosis	0.056
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	8058000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.572; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.943; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	P1-ARG ANTITRYPSIN
formula_weight	37634.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2984

HPTFNKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGFQELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQINDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKAVLTIDEKGTEAAGAMFL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	P1-ARG ANTITRYPSIN
formula_weight	4707.6 kDa
mutation	M358R
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

EAIPRSIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

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6. Citations (1)

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length_a	110.170 Å
length_b	110.170 Å
length_c	76.670 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 42 21 2
int_tables_number	94
crystal_system	—

resolution	3.000 Å
resolution_low	20.000 Å
r_factor	0.2090
r_work	0.2080
r_free	0.2620

fit	/app/data/saxs_computation/d5/1d5s/1d5s.fit
pddf	/app/data/pr_computation/d5/1d5s/1d5s.pr.out
profile	/app/data/saxs_computation/d5/1d5s/1d5s.dat

CRYSTAL STRUCTURE OF CLEAVED ANTITRYPSIN POLYMER

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

Source

Entity 2 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)