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1dvg

CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME; SELELENO-METHIONINE DERIVATIVE, MUTATED AT M51T,M93L,M155L,M191L.

Method: X-RAY DIFFRACTION D_max: 84.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dvg
deposition_date	2000-01-20
title	CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME; SELELENO-METHIONINE DERIVATIVE, MUTATED AT M51T,M93L,M155L,M191L.
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	26.27 Å
rg_electron	25.45 Å
i0	40732600.00
molecular_weight	50436.0 kDa
excluded_volume	63412 Å³
envelope_volume	75985 Å³
shell_volume	25359 Å³
envelope_diameter	89.4 Å
shell_rg	31.98 Å
envelope_rg	25.35 Å
shape_rg	25.46 Å
total_rg	26.19 Å
total_atoms	3558
n_residues	424
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	84.8 Å
rg_real	26.31 Å
rg_real_error	0.65 Å
i0_real	4.0730e+07
i0_real_error	5.1300e+05
rg_reciprocal	26.30 Å
i0_reciprocal	40730000.0000
total_estimate	0.8895
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.342
kurtosis	-0.571
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	15660000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.950; 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	30655.8 kDa
ec_number	1.14.99.3
mutation	M1(MSE), M9(MSE), M34(MSE), M51T, M93L, M155L, M186(MSE), M191L
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3701

MERPQLDSMSQDLSEALKEATKEVHIRAENSEFMRNFQKGQVSREGFKLVTASLYHIYTALEEEIERNKQNPVYAPLYFPEELHRRAALEQDLAFWYGPHWQEAIPYTPATQHYVKRLHEVGGTHPELLVAHAYTRYLGDLSGGQVLKKIAQKALALPSSGEGLASFTFPSIDNPTKFKQLYRARMNTLELTPEVKHRVTEEAKTAFLLNIELFEELQALLTEEHKDQSPSQTEFLRQRPASLVQDTTSAETPRGKSQISTSSSQTP

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	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	143

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6. Citations (1)

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length_a	54.853 Å
length_b	54.853 Å
length_c	187.558 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43
int_tables_number	78
crystal_system	—

resolution	2.200 Å
resolution_low	19.480 Å
r_factor	—
r_work	0.2120
r_free	0.2580

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

CRYSTAL STRUCTURE OF RAT HEME OXYGENASE-1 IN COMPLEX WITH HEME; SELELENO-METHIONINE DERIVATIVE, MUTATED AT M51T,M93L,M155L,M191L.

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