Crystal structure of the recombinant A1-antitrypsin F51L/M351V/M358V triple mutant

Method: X-RAY DIFFRACTION D_max: 100.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vdi
deposition_date	2025-06-08
last_revision	2026-04-15
title	Crystal structure of the recombinant A1-antitrypsin F51L/M351V/M358V triple mutant
keywords	A1-Antitrypsin, RECOMBINATION; RECOMBINATION
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	31.06 Å
rg_electron	30.13 Å
i0	101476000.00
molecular_weight	83338.0 kDa
excluded_volume	105850 Å³
envelope_volume	130940 Å³
shell_volume	35916 Å³
envelope_diameter	104.8 Å
shell_rg	37.46 Å
envelope_rg	30.08 Å
shape_rg	30.11 Å
total_rg	30.89 Å
total_atoms	5884
n_residues	744
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	100.2 Å
rg_real	31.02 Å
rg_real_error	0.88 Å
i0_real	1.0150e+08
i0_real_error	1.4920e+06
rg_reciprocal	31.04 Å
i0_reciprocal	101500000.0000
total_estimate	0.8992
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.4 Å
skewness	0.259
kurtosis	-0.577
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	45100000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.958

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4. Crystallography & Experiment

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5. Entities & Polymer Info (1)

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6. Citations (1)

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length_a	81.854 Å
length_b	36.374 Å
length_c	115.298 Å
angle_alpha	90.00 °
angle_beta	90.08 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.600 Å
resolution_low	47.160 Å
r_factor	0.2144
r_work	0.2102
r_free	0.2541

description	Alpha-1-antitrypsin
formula_weight	41816.7 kDa
mutation	F51L,M351V,M358V
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5884

Crystal structure of the recombinant A1-antitrypsin F51L/M351V/M358V triple mutant

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 (1)

Entity 1 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

fit	/app/data/saxs_computation/vd/9vdi/9vdi.fit
pddf	/app/data/pr_computation/vd/9vdi/9vdi.pr.out
profile	/app/data/saxs_computation/vd/9vdi/9vdi.dat