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1erx

CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH NO

Method: X-RAY DIFFRACTION D_max: 49.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1erx
deposition_date	2000-04-06
title	CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH NO
keywords	beta barrel, ferric heme, nitric oxide complex, SIGNALING PROTEIN; SIGNALING PROTEIN
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	16.54 Å
rg_electron	15.11 Å
i0	8364420.00
molecular_weight	21128.0 kDa
excluded_volume	26370 Å³
envelope_volume	29252 Å³
shell_volume	15760 Å³
envelope_diameter	47.6 Å
shell_rg	21.62 Å
envelope_rg	15.44 Å
shape_rg	15.05 Å
total_rg	16.41 Å
total_atoms	1488
n_residues	184
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	49.2 Å
rg_real	16.37 Å
rg_real_error	0.20 Å
i0_real	8.3640e+06
i0_real_error	8.6120e+04
rg_reciprocal	16.39 Å
i0_reciprocal	8364000.0000
total_estimate	0.8999
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.015
kurtosis	-0.460
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	3286000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	NITROPHORIN 4
formula_weight	20292.7 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1658

ACTKNAIAQTGFNKDKYFNGDVWYVTDYLDLEPDDVPKRYCAALAAGTASGKLKEALYHYDPKTQDTFYDVSELQVESLGKYTANFKKVDKNGNVKVAVTAGNYYTFTVMYADDSSALIHTCLHKGNKDLGDLYAVLNRNKDAAAGDKVKSAVSAATLEFSKFISTKENNCAYDNDSLKSLLTK

Entity 2 non-polymer

description	5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
formula_weight	640.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NITRIC OXIDE
formula_weight	30.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	160

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6. Citations (3)

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length_a	70.319 Å
length_b	42.636 Å
length_c	52.573 Å
angle_alpha	90.00 °
angle_beta	94.19 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.400 Å
resolution_low	15.000 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2400

fit	/app/data/saxs_computation/er/1erx/1erx.fit
pddf	/app/data/pr_computation/er/1erx/1erx.pr.out
profile	/app/data/saxs_computation/er/1erx/1erx.dat

CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH NO

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