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1ajg

CARBONMONOXY MYOGLOBIN AT 40 K

Method: X-RAY DIFFRACTION D_max: 51.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ajg
deposition_date	1997-05-02
title	CARBONMONOXY MYOGLOBIN AT 40 K
keywords	OXYGEN TRANSPORT, RESPIRATORY PROTEIN, HEME; OXYGEN 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	16.45 Å
rg_electron	15.03 Å
i0	5871530.00
molecular_weight	18039.0 kDa
excluded_volume	22777 Å³
envelope_volume	24632 Å³
shell_volume	13859 Å³
envelope_diameter	51.7 Å
shell_rg	20.90 Å
envelope_rg	15.29 Å
shape_rg	14.99 Å
total_rg	16.22 Å
total_atoms	1272
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	51.4 Å
rg_real	16.33 Å
rg_real_error	0.31 Å
i0_real	5.8720e+06
i0_real_error	6.7740e+04
rg_reciprocal	16.34 Å
i0_reciprocal	5872000.0000
total_estimate	0.8194
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	21.1 Å
skewness	0.096
kurtosis	-0.467
angular_range	— – 0.4850 Å⁻¹
current_alpha	0.0000
highest_alpha	881400.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MYOGLOBIN
formula_weight	17235.0 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1479

VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQG

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 non-polymer

description	CARBON MONOXIDE
formula_weight	28.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	183

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6. Citations (2)

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length_a	63.430 Å
length_b	30.430 Å
length_c	34.120 Å
angle_alpha	90.00 °
angle_beta	105.67 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.690 Å
resolution_low	10.000 Å
r_factor	0.1710
r_work	0.1710
r_free	0.2380

fit	/app/data/saxs_computation/aj/1ajg/1ajg.fit
pddf	/app/data/pr_computation/aj/1ajg/1ajg.pr.out
profile	/app/data/saxs_computation/aj/1ajg/1ajg.dat

CARBONMONOXY MYOGLOBIN AT 40 K

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