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1et7

CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASP MUTANT FROM ALCALIGENES FAECALIS S-6

Method: X-RAY DIFFRACTION D_max: 88.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1et7
deposition_date	2000-04-12
title	CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASP MUTANT FROM ALCALIGENES FAECALIS S-6
keywords	Greek key beta barrel domain, 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	22.31 Å
rg_electron	21.28 Å
i0	23856700.00
molecular_weight	37033.0 kDa
excluded_volume	46069 Å³
envelope_volume	55939 Å³
shell_volume	22197 Å³
envelope_diameter	92.0 Å
shell_rg	27.79 Å
envelope_rg	22.49 Å
shape_rg	21.19 Å
total_rg	22.39 Å
total_atoms	2587
n_residues	339
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	88.7 Å
rg_real	22.36 Å
rg_real_error	0.86 Å
i0_real	2.3860e+07
i0_real_error	3.8320e+05
rg_reciprocal	22.34 Å
i0_reciprocal	23860000.0000
total_estimate	0.6265
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.509
kurtosis	0.199
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	6095000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.463; Stabil: 1.000; Sysdev: 0.328; Positv: 1.000; Valcen: 0.779; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	NITRITE REDUCTASE
formula_weight	36855.6 kDa
ec_number	1.7.99.3
mutation	H255D
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2830

ATAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVIDDAGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLMHNIDFHAATGALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGMNGAIMVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAYEDTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTRPDLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAYVNHNLIEAFELGAAAHFKVTGEWNDDLMTSVLAPSGTIEGR

Source

organism	Alcaligenes faecalis
ncbi_taxonomy_id	511
host_organism	Escherichia coli

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	243

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6. Citations (1)

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length_a	127.640 Å
length_b	127.640 Å
length_c	67.510 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	1.700 Å
resolution_low	500.000 Å
r_factor	0.1880
r_work	0.1880
r_free	0.2100

fit	/app/data/saxs_computation/et/1et7/1et7.fit
pddf	/app/data/pr_computation/et/1et7/1et7.pr.out
profile	/app/data/saxs_computation/et/1et7/1et7.dat

CRYSTAL STRUCTURE OF NITRITE REDUCTASE HIS255ASP MUTANT FROM ALCALIGENES FAECALIS S-6

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction