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1d0c

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE)

Method: X-RAY DIFFRACTION D_max: 93.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d0c
deposition_date	1999-09-09
title	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE)
keywords	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	29.81 Å
rg_electron	29.01 Å
i0	151291000.00
molecular_weight	96341.0 kDa
excluded_volume	119740 Å³
envelope_volume	143760 Å³
shell_volume	40699 Å³
envelope_diameter	94.3 Å
shell_rg	37.13 Å
envelope_rg	29.06 Å
shape_rg	29.05 Å
total_rg	29.61 Å
total_atoms	6766
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	93.9 Å
rg_real	29.75 Å
rg_real_error	0.61 Å
i0_real	1.5130e+08
i0_real_error	2.3120e+06
rg_reciprocal	29.78 Å
i0_reciprocal	151300000.0000
total_estimate	0.9011
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.285
kurtosis	-0.508
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	48340000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.918; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.957

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN
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	7428

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	4

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

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

Entity 5 non-polymer

description	3-BROMO-7-NITROINDAZOLE
formula_weight	242.0 kDa
src_method	syn
entity_count	4

Entity 6 non-polymer

description	CACODYLIC ACID
formula_weight	138.0 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	655

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6. Citations (4)

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length_a	57.440 Å
length_b	105.980 Å
length_c	155.790 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	1.650 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2130
r_free	0.2590

fit	/app/data/saxs_computation/d0/1d0c/1d0c.fit
pddf	/app/data/pr_computation/d0/1d0c/1d0c.pr.out
profile	/app/data/saxs_computation/d0/1d0c/1d0c.dat