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1aph

CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11

Method: X-RAY DIFFRACTION D_max: 37.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aph
deposition_date	1992-10-30
title	CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11
keywords	HORMONE; HORMONE
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	11.23 Å
rg_electron	9.89 Å
i0	841130.00
molecular_weight	5837.0 kDa
excluded_volume	7209 Å³
envelope_volume	7719 Å³
shell_volume	6963 Å³
envelope_diameter	34.6 Å
shell_rg	15.00 Å
envelope_rg	10.23 Å
shape_rg	9.89 Å
total_rg	11.31 Å
total_atoms	404
n_residues	51
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	37.6 Å
rg_real	11.17 Å
rg_real_error	0.28 Å
i0_real	8.4110e+05
i0_real_error	8.8130e+03
rg_reciprocal	11.18 Å
i0_reciprocal	841100.0000
total_estimate	0.8719
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	14.8 Å
skewness	0.155
kurtosis	-0.226
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	90160.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.786; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	INSULIN A CHAIN (PH 7)
formula_weight	2339.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	494

GIVEQCCASVCSLYQLENYCN

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913

Entity 2 polymer

description	INSULIN B CHAIN (PH 7)
formula_weight	3403.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

FVNQHLCGSHLVEALYLVCGERGFFYTPKA

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913

Entity 3 non-polymer

description	1,2-DICHLOROETHANE
formula_weight	99.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	56

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6. Citations (6)

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length_a	78.900 Å
length_b	78.900 Å
length_c	78.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 21 3
int_tables_number	199
crystal_system	—

resolution	2.000 Å
resolution_low	— Å
r_factor	0.2000
r_work	—
r_free	—

fit	/app/data/saxs_computation/ap/1aph/1aph.fit
pddf	/app/data/pr_computation/ap/1aph/1aph.pr.out
profile	/app/data/saxs_computation/ap/1aph/1aph.dat

CONFORMATIONAL CHANGES IN CUBIC INSULIN CRYSTALS IN THE PH RANGE 7-11

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (6)

7. Files & Curves (10)

Files (7)

Curves (3)