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1dvm

ACTIVE FORM OF HUMAN PAI-1

Method: X-RAY DIFFRACTION D_max: 147.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dvm
deposition_date	2000-01-21
title	ACTIVE FORM OF HUMAN PAI-1
keywords	SERPIN, PAI-1, INHIBITOR, BLOOD CLOTTING; BLOOD CLOTTING
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	44.13 Å
rg_electron	44.11 Å
i0	392062000.00
molecular_weight	166750.0 kDa
excluded_volume	210440 Å³
envelope_volume	278160 Å³
shell_volume	55020 Å³
envelope_diameter	155.9 Å
shell_rg	45.91 Å
envelope_rg	43.48 Å
shape_rg	44.11 Å
total_rg	44.21 Å
total_atoms	11747
n_residues	1476
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	147.9 Å
rg_real	44.36 Å
rg_real_error	1.35 Å
i0_real	3.9210e+08
i0_real_error	7.0660e+06
rg_reciprocal	44.14 Å
i0_reciprocal	392000000.0000
total_estimate	0.8558
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	53.4 Å
skewness	0.451
kurtosis	-0.283
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	60660000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.921; Smooth: 0.589

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PLASMINOGEN ACTIVATOR INHIBITOR-1
formula_weight	42795.1 kDa
mutation	N150H, K154T, Q319L, M354I
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13383

VHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISHLLGTGAVQQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVALALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIIDRPFLFVVRHNPTGTVLFMGQVMEP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1636

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6. Citations (1)

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length_a	64.764 Å
length_b	74.674 Å
length_c	103.445 Å
angle_alpha	85.19 °
angle_beta	86.17 °
angle_gamma	64.34 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.400 Å
resolution_low	30.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.2920

fit	/app/data/saxs_computation/dv/1dvm/1dvm.fit
pddf	/app/data/pr_computation/dv/1dvm/1dvm.pr.out
profile	/app/data/saxs_computation/dv/1dvm/1dvm.dat

ACTIVE FORM OF HUMAN PAI-1

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