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1dww

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

Method: X-RAY DIFFRACTION D_max: 121.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dww
deposition_date	1999-12-14
title	MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin
keywords	;OXIDOREDUCTASE/TRANSFERASE, COMPLEX (OXIDOREDUCTASE-TRANSFERASE), NITRIC OXIDE MONOOXYGENASE, HEME, DIMER, INTERMEDIATE, PTERIN, H2B, DIHYDROBIOPTERIN, 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	37.32 Å
rg_electron	36.88 Å
i0	156109000.00
molecular_weight	100080.0 kDa
excluded_volume	124620 Å³
envelope_volume	163760 Å³
shell_volume	37809 Å³
envelope_diameter	126.6 Å
shell_rg	41.78 Å
envelope_rg	36.52 Å
shape_rg	36.82 Å
total_rg	37.38 Å
total_atoms	7036
n_residues	840
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	121.3 Å
rg_real	37.52 Å
rg_real_error	1.05 Å
i0_real	1.5610e+08
i0_real_error	2.6020e+06
rg_reciprocal	37.40 Å
i0_reciprocal	156100000.0000
total_estimate	0.8554
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.8 Å
skewness	0.345
kurtosis	-0.728
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	24580000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.874; Smooth: 0.749

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

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	7727

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	2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE
formula_weight	239.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	8

Entity 6 non-polymer

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

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	691

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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	2.350 Å
resolution_low	30.000 Å
r_factor	0.2490
r_work	0.2490
r_free	0.2880

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