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1aof

CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM

Method: X-RAY DIFFRACTION D_max: 109.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aof
deposition_date	1997-07-02
title	CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM
keywords	ENZYME, NITRITE REDUCTASE, OXIDOREDUCTASE, NITRATE ASSIMILATION; 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	33.45 Å
rg_electron	32.85 Å
i0	227534000.00
molecular_weight	121040.0 kDa
excluded_volume	150940 Å³
envelope_volume	180220 Å³
shell_volume	45510 Å³
envelope_diameter	111.4 Å
shell_rg	39.96 Å
envelope_rg	32.88 Å
shape_rg	32.87 Å
total_rg	33.29 Å
total_atoms	8533
n_residues	1074
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	109.5 Å
rg_real	33.44 Å
rg_real_error	0.87 Å
i0_real	2.2750e+08
i0_real_error	3.5860e+06
rg_reciprocal	33.45 Å
i0_reciprocal	227500000.0000
total_estimate	0.8904
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	37.3 Å
skewness	0.331
kurtosis	-0.456
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	61220000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.921

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	NITRITE REDUCTASE
formula_weight	62605.7 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9085

QEQVAPPKDPAAALEDHKTRTDNRYEPSLDNLAQQDVAAPGAPEGVTALSDAQYNEANKIYFERCAGCHGVLRKGATGKALTPDLTRDLGFDYLQSFITYASPAGMPNWGTSGELSAEQVDLMANYLLLDPAAPPEFGMKEMRESWKVHVAPEDRPTQQMNDWDLENLFSVTLRDAGQIALIDGSTYEIKTVLDTGYAVHISRLSASGRYLFVIGRDGKVNMIDLWMKEPTTVAEIKIGSEARSIETSKMEGWEDKYAIAGAYWPPQYVIMDGETLEPKKIQSTRGMTYDEQEYHPEPRVAAILASHYRPEFIVNVKETGKILLVDYTDLNNLKTTEISAERFLHDGGLDGSHRYFITAANARNKLVVIDTKEGKLVAIEDTGGQTPHPGRGANFVHPTFGPVWATSHMGDDSVALIGTDPEGHPDNAWKILDSFPALGGGSLFIKTHPNSQYLYVDATLNPEAEISGSVAVFDIKAMTGDGSDPEFKTLPIAEWAGITEGQPRVVQGEFNKDGTEVWFSVWNGKDQESALVVVDDKTLELKHVIKDERLVTPTGKFNVYNTMTDTY

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	HEME D
formula_weight	712.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	SULFUR DIOXIDE
formula_weight	64.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	552

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6. Citations (1)

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length_a	107.400 Å
length_b	61.700 Å
length_c	101.200 Å
angle_alpha	90.00 °
angle_beta	112.10 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1700
r_free	0.2010

fit	/app/data/saxs_computation/ao/1aof/1aof.fit
pddf	/app/data/pr_computation/ao/1aof/1aof.pr.out
profile	/app/data/saxs_computation/ao/1aof/1aof.dat

CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM

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