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1dve

CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME

Method: X-RAY DIFFRACTION D_max: 57.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dve
deposition_date	2000-01-20
title	CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME
keywords	ALL ALPHA, PROTEIN-SUBSTRATE COMPLEX, 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	18.02 Å
rg_electron	16.69 Å
i0	11043100.00
molecular_weight	25267.0 kDa
excluded_volume	31804 Å³
envelope_volume	35073 Å³
shell_volume	17390 Å³
envelope_diameter	59.3 Å
shell_rg	23.07 Å
envelope_rg	16.96 Å
shape_rg	16.67 Å
total_rg	17.77 Å
total_atoms	1785
n_residues	214
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	57.3 Å
rg_real	17.89 Å
rg_real_error	0.24 Å
i0_real	1.1040e+07
i0_real_error	1.1980e+05
rg_reciprocal	17.90 Å
i0_reciprocal	11040000.0000
total_estimate	0.8846
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.158
kurtosis	-0.339
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	3006000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HEME OXYGENASE-1
formula_weight	30612.5 kDa
ec_number	1.14.99.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1845

MERPQLDSMSQDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVMASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDMAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKAMALPSSGEGLAFFTFPSIDNPTKFKQLYRARMNTLEMTPEVKHRVTEEAKTAFLLNIELFEELQALLTEEHKDQSPSQTEFLRQRPASLVQDTTSAETPRGKSQISTSSSQTP

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	60

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6. Citations (2)

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length_a	56.139 Å
length_b	56.139 Å
length_c	183.984 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.400 Å
resolution_low	27.750 Å
r_factor	—
r_work	0.2140
r_free	0.2680

fit	/app/data/saxs_computation/dv/1dve/1dve.fit
pddf	/app/data/pr_computation/dv/1dve/1dve.pr.out
profile	/app/data/saxs_computation/dv/1dve/1dve.dat

CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME

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