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1do3

CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K

Method: X-RAY DIFFRACTION D_max: 53.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1do3
deposition_date	1999-12-18
title	CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T>180K
keywords	HEME, RESPIRATORY PROTEIN, PHOTOLYSED MYOGLOBIN, LIGAND MIGRATION, OXYGEN STORAGE-TRANSPORT COMPLEX; OXYGEN STORAGE/TRANSPORT
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	16.66 Å
rg_electron	15.16 Å
i0	6189570.00
molecular_weight	18455.0 kDa
excluded_volume	23276 Å³
envelope_volume	25721 Å³
shell_volume	14282 Å³
envelope_diameter	54.1 Å
shell_rg	21.08 Å
envelope_rg	15.42 Å
shape_rg	15.10 Å
total_rg	16.43 Å
total_atoms	1301
n_residues	153
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	53.0 Å
rg_real	16.55 Å
rg_real_error	0.31 Å
i0_real	6.1900e+06
i0_real_error	6.5960e+04
rg_reciprocal	16.57 Å
i0_reciprocal	6190000.0000
total_estimate	0.8102
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	21.4 Å
skewness	0.106
kurtosis	-0.413
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	1030000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	MYOGLOBIN
formula_weight	17466.2 kDa
mutation	M0(FME), L29W, D122N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1492

MVLSEGEWQLVLHVWAKVEADVAGHGQDIWIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG

Source

organism	Physeter catodon
common_name	sperm whale
ncbi_taxonomy_id	9755
host_organism	Escherichia coli

Entity 2 branched

description	alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

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

Entity 5 non-polymer

description	CARBON MONOXIDE
formula_weight	28.0 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	191

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6. Citations (1)

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length_a	90.460 Å
length_b	90.460 Å
length_c	45.260 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 6
int_tables_number	168
crystal_system	—

resolution	1.550 Å
resolution_low	7.000 Å
r_factor	0.1950
r_work	0.1930
r_free	0.2180

fit	/app/data/saxs_computation/do/1do3/1do3.fit
pddf	/app/data/pr_computation/do/1do3/1do3.pr.out
profile	/app/data/saxs_computation/do/1do3/1do3.dat