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1dwx

MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin

Method: X-RAY DIFFRACTION D_max: 115.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dwx
deposition_date	1999-12-14
title	MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin
keywords	;OXIDOREDUCTASE TRANSFERASE COMPLEX, COMPLEX (OXIDOREDUCTASE-TRANSFERASE), NITRIC OXIDE MONOOXYGENASE, HEME, DIMER, INTERMEDIATE, PTERIN, H4B, TETRAHYDROBIOPTERIN, OXIDOREDUCTASE-TRANSFERASE complex ;; OXIDOREDUCTASE/TRANSFERASE
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	35.82 Å
rg_electron	35.45 Å
i0	146253000.00
molecular_weight	97599.0 kDa
excluded_volume	122090 Å³
envelope_volume	161980 Å³
shell_volume	38824 Å³
envelope_diameter	121.7 Å
shell_rg	40.93 Å
envelope_rg	34.93 Å
shape_rg	35.42 Å
total_rg	35.94 Å
total_atoms	6883
n_residues	825
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	115.6 Å
rg_real	35.91 Å
rg_real_error	1.19 Å
i0_real	1.4630e+08
i0_real_error	2.4410e+06
rg_reciprocal	35.86 Å
i0_reciprocal	146200000.0000
total_estimate	0.8802
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.5 Å
skewness	0.298
kurtosis	-0.725
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	22850000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.915; Smooth: 0.895

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	NITRIC OXIDE SYNTHASE
formula_weight	48626.3 kDa
ec_number	1.14.13.39
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7235

QYVRIKNWGSGEILHDTLHHKATSDFTCKSKSCLGSIMNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINVAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLSPFYYYQIEPWKTHIWQ

Source

organism	MUS MUSCULUS
common_name	MOUSE
ncbi_taxonomy_id	10090
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

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

Entity 3 non-polymer

description	5,6,7,8-TETRAHYDROBIOPTERIN
formula_weight	241.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	N-OMEGA-HYDROXY-L-ARGININE
formula_weight	190.2 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	352

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6. Citations (5)

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length_a	212.980 Å
length_b	212.980 Å
length_c	114.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.600 Å
resolution_low	30.000 Å
r_factor	0.2380
r_work	0.2380
r_free	0.2780

fit	/app/data/saxs_computation/dw/1dwx/1dwx.fit
pddf	/app/data/pr_computation/dw/1dwx/1dwx.pr.out
profile	/app/data/saxs_computation/dw/1dwx/1dwx.dat