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1cmj

CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND THEIR SER286 MUTANTS AT CRYOGENIC TEMPERATURE

Method: X-RAY DIFFRACTION D_max: 68.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cmj
deposition_date	1999-05-07
title	CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND THEIR SER286 MUTANTS AT CRYOGENIC TEMPERATURE
keywords	NITRIC OXIDE REDUCTASE, CYTOCHROME P450NOR, NO-LIGANDED, MUTAGENESIS(S286T), 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	22.16 Å
rg_electron	21.07 Å
i0	32417400.00
molecular_weight	44680.0 kDa
excluded_volume	56276 Å³
envelope_volume	65063 Å³
shell_volume	25235 Å³
envelope_diameter	71.8 Å
shell_rg	28.29 Å
envelope_rg	21.14 Å
shape_rg	21.05 Å
total_rg	22.01 Å
total_atoms	3145
n_residues	399
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	68.7 Å
rg_real	22.00 Å
rg_real_error	0.38 Å
i0_real	3.2420e+07
i0_real_error	4.0260e+05
rg_reciprocal	22.03 Å
i0_reciprocal	32420000.0000
total_estimate	0.9006
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.137
kurtosis	-0.485
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	5783000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYTOCHROME P450
formula_weight	44303.5 kDa
ec_number	1.14.-.-
mutation	S286T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3482

ASGAPSFPFSRASGPEPPAEFAKLRATNPVSQVKLFDGSLAWLVTKHKDVCFVATSEKLSKVRTRQGFPELSASGKQAAKAKPTFVDMDPPEHMHQRSMVEPTFTPEAVKNLQPYIQRTVDDLLEQMKQKGCANGPVDLVKEFALPVPSYIIYTLLGVPFNDLEYLTQQNAIRTNGSSTAREASAANQELLDYLAILVEQRLVEPKDDIISKLCTEQVKPGNIDKSDAVQIAFLLLVAGNATMVNMIALGVATLAQHPDQLAQLKANPSLAPQFVEELCRYHTATALAIKRTAKEDVMIGDKLVRANEGIIASNQSANRDEEVFENPDEFNMNRKWPPQDPLGFGFGDHRCIAEHLAKAELTTVFSTLYQKFPDLKVAVPLGKINYTPLNRDVGIVDLPVIF

Source

organism	Fusarium oxysporum
ncbi_taxonomy_id	5507
host_organism	Escherichia coli

Entity 2 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NITRIC OXIDE
formula_weight	30.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	337

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6. Citations (1)

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length_a	54.690 Å
length_b	81.130 Å
length_c	85.790 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.700 Å
resolution_low	50.000 Å
r_factor	—
r_work	0.1970
r_free	0.2500

fit	/app/data/saxs_computation/cm/1cmj/1cmj.fit
pddf	/app/data/pr_computation/cm/1cmj/1cmj.pr.out
profile	/app/data/saxs_computation/cm/1cmj/1cmj.dat

CRYSTAL STRUCTURES OF FERRIC-NO COMPLEXES OF FUNGAL NITRIC OXIDE REDUCTASE AND THEIR SER286 MUTANTS AT CRYOGENIC TEMPERATURE

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