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1ch3

RECOMBINANT SPERM WHALE MYOGLOBIN L89W MUTANT (MET)

Method: X-RAY DIFFRACTION D_max: 51.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ch3
deposition_date	1999-03-31
title	RECOMBINANT SPERM WHALE MYOGLOBIN L89W MUTANT (MET)
keywords	OXYGEN TRANSPORT, HEME, MUSCLE PROTEIN, 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	16.65 Å
rg_electron	15.23 Å
i0	5851150.00
molecular_weight	18119.0 kDa
excluded_volume	22938 Å³
envelope_volume	25227 Å³
shell_volume	14065 Å³
envelope_diameter	51.6 Å
shell_rg	21.01 Å
envelope_rg	15.41 Å
shape_rg	15.19 Å
total_rg	16.43 Å
total_atoms	1279
n_residues	154
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	51.1 Å
rg_real	16.52 Å
rg_real_error	0.22 Å
i0_real	5.8510e+06
i0_real_error	6.2230e+04
rg_reciprocal	16.54 Å
i0_reciprocal	5851000.0000
total_estimate	0.9036
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	21.2 Å
skewness	0.091
kurtosis	-0.463
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	861000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (MYOGLOBIN)
formula_weight	17438.2 kDa
mutation	INITIATOR MET, L89W, D122N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1417

MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPWAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG

Source

organism	Physeter catodon
common_name	sperm whale
ncbi_taxonomy_id	9755
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	138

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6. Citations (1)

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length_a	91.723 Å
length_b	91.723 Å
length_c	46.021 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	2.000 Å
resolution_low	5.000 Å
r_factor	0.1482
r_work	—
r_free	0.2020

fit	/app/data/saxs_computation/ch/1ch3/1ch3.fit
pddf	/app/data/pr_computation/ch/1ch3/1ch3.pr.out
profile	/app/data/saxs_computation/ch/1ch3/1ch3.dat

RECOMBINANT SPERM WHALE MYOGLOBIN L89W MUTANT (MET)

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