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1ed5

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE)

Method: X-RAY DIFFRACTION D_max: 94.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ed5
deposition_date	2000-01-26
title	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE)
keywords	NITRIC OXIDE SYNTHASE, HEME PROTEIN, alpha-beta fold, OXIDOREDUCTASE; OXIDOREDUCTASE
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	30.08 Å
rg_electron	29.18 Å
i0	148391000.00
molecular_weight	95878.0 kDa
excluded_volume	119510 Å³
envelope_volume	146010 Å³
shell_volume	41113 Å³
envelope_diameter	93.6 Å
shell_rg	37.28 Å
envelope_rg	29.18 Å
shape_rg	29.20 Å
total_rg	29.83 Å
total_atoms	6748
n_residues	830
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	94.0 Å
rg_real	30.01 Å
rg_real_error	0.41 Å
i0_real	1.4840e+08
i0_real_error	2.0570e+06
rg_reciprocal	30.04 Å
i0_reciprocal	148400000.0000
total_estimate	0.6840
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	35.5 Å
skewness	0.269
kurtosis	-0.519
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0003
highest_alpha	42400000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 0.050; Positv: 1.000; Valcen: 1.000; Smooth: 0.953

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	NITRIC OXIDE SYNTHASE
formula_weight	49710.1 kDa
ec_number	1.14.13.39
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7381

SRAPAPATPHAPDHSPAPNSPTLTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPW

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	N-OMEGA-NITRO-L-ARGININE
formula_weight	219.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	CACODYLIC ACID
formula_weight	138.0 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 7 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	633

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6. Citations (3)

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length_a	58.826 Å
length_b	106.417 Å
length_c	156.163 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	39.460 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2380

fit	/app/data/saxs_computation/ed/1ed5/1ed5.fit
pddf	/app/data/pr_computation/ed/1ed5/1ed5.pr.out
profile	/app/data/saxs_computation/ed/1ed5/1ed5.dat