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1du0

ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX

Method: X-RAY DIFFRACTION D_max: 81.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1du0
deposition_date	2000-01-13
title	ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX
keywords	homeodomain, DNA-binding protein, protein-DNA complex, TRANSCRIPTION-DNA COMPLEX; TRANSCRIPTION/DNA
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	23.18 Å
rg_electron	23.05 Å
i0	20348000.00
molecular_weight	26056.0 kDa
excluded_volume	29049 Å³
envelope_volume	40864 Å³
shell_volume	16605 Å³
envelope_diameter	83.6 Å
shell_rg	27.21 Å
envelope_rg	23.21 Å
shape_rg	23.02 Å
total_rg	23.58 Å
total_atoms	1785
n_residues	151
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	81.7 Å
rg_real	23.39 Å
rg_real_error	0.90 Å
i0_real	2.0350e+07
i0_real_error	3.3330e+05
rg_reciprocal	23.34 Å
i0_reciprocal	20350000.0000
total_estimate	0.8381
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.6 Å
skewness	0.521
kurtosis	-0.284
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	1561000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.754; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.663; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(TPTPTPTPGPCPCPAPTPGPTPAPAPTPTPAPCPCPTPAP*A)-3') ;
formula_weight	6387.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	1888

TTTTGCCATGTAATTACCTAA

Entity 2 polymer

description	;DNA (5'-D(APTPTPAPGPGPTPAPAPTPTPAPCPAPTPGPGPCPAPAP*A)-3') ;
formula_weight	6494.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

ATTAGGTAATTACATGGCAAA

Entity 3 polymer

description	ENGRAILED HOMEODOMAIN
formula_weight	6907.9 kDa
mutation	GLN50ALA
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B

RPRTAFSSEQLARLKREFNENRYLTERRRQQLSSELGLNEAQIKIWFANKRAKIKKS

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (5)

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length_a	126.900 Å
length_b	45.550 Å
length_c	71.620 Å
angle_alpha	90.00 °
angle_beta	119.90 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	0.2370
r_work	0.2340
r_free	0.2700

fit	/app/data/saxs_computation/du/1du0/1du0.fit
pddf	/app/data/pr_computation/du/1du0/1du0.pr.out
profile	/app/data/saxs_computation/du/1du0/1du0.dat

ENGRAILED HOMEODOMAIN Q50A VARIANT DNA COMPLEX

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)