← Back to search

1df1

MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE

Method: X-RAY DIFFRACTION D_max: 118.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1df1
deposition_date	1999-11-16
title	MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE
keywords	NITRIC OXIDE L-ARGININE MONOOXYGENASE, NOS, HEME, ISOTHIOUREA, INOS, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	36.79 Å
rg_electron	36.51 Å
i0	149323000.00
molecular_weight	99112.0 kDa
excluded_volume	123980 Å³
envelope_volume	163160 Å³
shell_volume	37887 Å³
envelope_diameter	122.8 Å
shell_rg	41.73 Å
envelope_rg	36.16 Å
shape_rg	36.49 Å
total_rg	36.94 Å
total_atoms	6980
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

▼

3. P(r) Analysis (GNOM)

dmax	118.7 Å
rg_real	36.95 Å
rg_real_error	0.98 Å
i0_real	1.4930e+08
i0_real_error	2.7580e+06
rg_reciprocal	36.86 Å
i0_reciprocal	149300000.0000
total_estimate	0.8557
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	33.1 Å
skewness	0.324
kurtosis	-0.746
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	24800000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.815; Smooth: 0.738

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	NITRIC OXIDE SYNTHASE
formula_weight	48998.7 kDa
ec_number	1.14.13.39
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7198

QYVRIKNWGSGEILHDTLHHKATSDFTCKSKSCLGSIMNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINVAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLSPFYYYQIEPWKTHIWQNEK

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 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	5,6,7,8-TETRAHYDROBIOPTERIN
formula_weight	241.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	ETHYLISOTHIOUREA
formula_weight	104.2 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	218

▶

6. Citations (2)

▶

length_a	214.464 Å
length_b	214.464 Å
length_c	112.752 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	20.000 Å
r_factor	0.2980
r_work	0.2230
r_free	0.2980

fit	/app/data/saxs_computation/df/1df1/1df1.fit
pddf	/app/data/pr_computation/df/1df1/1df1.pr.out
profile	/app/data/saxs_computation/df/1df1/1df1.dat