← Back to search

1eqd

CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH CN

Method: X-RAY DIFFRACTION D_max: 49.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1eqd
deposition_date	2000-04-03
title	CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH CN
keywords	beta barrel, lipocalin fold, ferric heme, cyanide, SIGNALING PROTEIN; SIGNALING PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	16.62 Å
rg_electron	15.16 Å
i0	8351980.00
molecular_weight	21124.0 kDa
excluded_volume	26378 Å³
envelope_volume	29508 Å³
shell_volume	15838 Å³
envelope_diameter	47.8 Å
shell_rg	21.65 Å
envelope_rg	15.51 Å
shape_rg	15.11 Å
total_rg	16.47 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

▼

3. P(r) Analysis (GNOM)

dmax	49.4 Å
rg_real	16.45 Å
rg_real_error	0.19 Å
i0_real	8.3520e+06
i0_real_error	8.0440e+04
rg_reciprocal	16.47 Å
i0_reciprocal	8352000.0000
total_estimate	0.8990
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.016
kurtosis	-0.455
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	3617000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.965; Smooth: 0.981

▶

4. Crystallography & Experiment

▶

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	1698

ACTKNAIAQTGFNKDKYFNGDVWYVTDYLDLEPDDVPKRYCAALAAGTASGKLKEALYHYDPKTQDTFYDVSELQVESLGKYTANFKKVDKNGNVKVAVTAGNYYTFTVMYADDSSALIHTCLHKGNKDLGDLYAVLNRNKDAAAGDKVKSAVSAATLEFSKFISTKENNCAYDNDSLKSLLTK

Entity 2 non-polymer

description	CYANIDE ION
formula_weight	26.0 kDa
src_method	syn
entity_count	1

Entity 3 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 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	200

▶

6. Citations (3)

▶

length_a	70.036 Å
length_b	42.652 Å
length_c	52.559 Å
angle_alpha	90.00 °
angle_beta	94.18 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.600 Å
resolution_low	11.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2600

fit	/app/data/saxs_computation/eq/1eqd/1eqd.fit
pddf	/app/data/pr_computation/eq/1eqd/1eqd.pr.out
profile	/app/data/saxs_computation/eq/1eqd/1eqd.dat

CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH CN

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