CRYSTAL STRUCTURE OF THE UNLIGANDED ABL TYROSINE KINASE SH3 DOMAIN

Method: X-RAY DIFFRACTION D_max: 36.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1abq
deposition_date	1995-05-19
title	CRYSTAL STRUCTURE OF THE UNLIGANDED ABL TYROSINE KINASE SH3 DOMAIN
keywords	SH3 DOMAIN, TRANSFERASE (PHOSPHOTRANSFERASE), PROTO-ONCOGENE, KINASE; KINASE
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	11.60 Å
rg_electron	10.19 Å
i0	895711.00
molecular_weight	6199.0 kDa
excluded_volume	7745 Å³
envelope_volume	8310 Å³
shell_volume	7292 Å³
envelope_diameter	33.4 Å
shell_rg	15.30 Å
envelope_rg	10.37 Å
shape_rg	10.17 Å
total_rg	11.67 Å
total_atoms	439
n_residues	56
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	36.2 Å
rg_real	11.51 Å
rg_real_error	0.20 Å
i0_real	8.9570e+05
i0_real_error	8.9670e+03
rg_reciprocal	11.51 Å
i0_reciprocal	895700.0000
total_estimate	0.8905
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	15.1 Å
skewness	0.092
kurtosis	-0.307
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	166800.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.865; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (4)

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length_a	51.400 Å
length_b	51.400 Å
length_c	46.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 1 2
int_tables_number	153
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.2120
r_work	0.2120
r_free	—

description	ABL TYROSINE KINASE SRC-HOMOLOGY 3 (SH3) DOMAIN
formula_weight	6880.6 kDa
ec_number	2.7.1.112
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	485

CRYSTAL STRUCTURE OF THE UNLIGANDED ABL TYROSINE KINASE SH3 DOMAIN

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	46

fit	/app/data/saxs_computation/ab/1abq/1abq.fit
pddf	/app/data/pr_computation/ab/1abq/1abq.pr.out
profile	/app/data/saxs_computation/ab/1abq/1abq.dat