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1ejn

UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX

Method: X-RAY DIFFRACTION D_max: 59.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ejn
deposition_date	2000-04-22
title	UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX
keywords	human, upa, plasminogen activator, urokinase, inhibitor complex, HYDROLASE; HYDROLASE
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	18.44 Å
rg_electron	17.17 Å
i0	14691000.00
molecular_weight	28234.0 kDa
excluded_volume	35090 Å³
envelope_volume	39705 Å³
shell_volume	18796 Å³
envelope_diameter	60.4 Å
shell_rg	23.99 Å
envelope_rg	17.62 Å
shape_rg	17.15 Å
total_rg	18.24 Å
total_atoms	1981
n_residues	247
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	59.8 Å
rg_real	18.32 Å
rg_real_error	0.32 Å
i0_real	1.4690e+07
i0_real_error	1.7930e+05
rg_reciprocal	18.34 Å
i0_reciprocal	14690000.0000
total_estimate	0.8036
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.8 Å
skewness	0.169
kurtosis	-0.338
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	4912000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	UROKINASE-TYPE PLASMINOGEN ACTIVATOR
formula_weight	28444.3 kDa
ec_number	3.4.21.73
mutation	C279S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2143

IIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTISLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLAL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA
formula_weight	341.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	162

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6. Citations (1)

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length_a	52.850 Å
length_b	54.770 Å
length_c	81.580 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	1.800 Å
resolution_low	500.000 Å
r_factor	—
r_work	0.2000
r_free	0.2400

fit	/app/data/saxs_computation/ej/1ejn/1ejn.fit
pddf	/app/data/pr_computation/ej/1ejn/1ejn.pr.out
profile	/app/data/saxs_computation/ej/1ejn/1ejn.dat

UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR 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