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1b8i

STRUCTURE OF THE HOMEOTIC UBX/EXD/DNA TERNARY COMPLEX

Method: X-RAY DIFFRACTION D_max: 60.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b8i
deposition_date	1999-02-01
title	STRUCTURE OF THE HOMEOTIC UBX/EXD/DNA TERNARY COMPLEX
keywords	DNA BINDING, HOMEODOMAIN, HOMEOTIC PROTEINS, DEVELOPMENT, SPECIFICITY, 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	18.38 Å
rg_electron	18.04 Å
i0	15346000.00
molecular_weight	23715.0 kDa
excluded_volume	27131 Å³
envelope_volume	33430 Å³
shell_volume	16086 Å³
envelope_diameter	62.3 Å
shell_rg	23.33 Å
envelope_rg	18.13 Å
shape_rg	18.04 Å
total_rg	18.72 Å
total_atoms	1637
n_residues	150
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	60.7 Å
rg_real	18.35 Å
rg_real_error	0.29 Å
i0_real	1.5350e+07
i0_real_error	1.8640e+05
rg_reciprocal	18.36 Å
i0_reciprocal	15350000.0000
total_estimate	0.8889
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.1 Å
skewness	0.320
kurtosis	-0.282
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0001
highest_alpha	1998000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;DNA (5'-D(GPTPCPGPCPCPAPTPAPAPAPTPCPAP*C)-3') ;
formula_weight	4538.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	1747

GTCGCCATAAATCAC

Entity 2 polymer

description	;DNA (5'-D(APCPGPTPGPAPTPTPTPAPTPGPGPCP*G)-3') ;
formula_weight	4640.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

ACGTGATTTATGGCG

Entity 3 polymer

description	PROTEIN (ULTRABITHORAX HOMEOTIC PROTEIN IV)
formula_weight	9998.5 kDa
mutation	C139S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

QASNHTFYPWMAIAGTNGLRRRGRQTYTRYQTLELEKEFHTNHYLTRRRRIEMAHALSLTERQIKIWFQNRRMKLKKEIQA

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli

Entity 4 polymer

description	PROTEIN (HOMEOBOX PROTEIN EXTRADENTICLE)
formula_weight	7553.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

ARRKRRNFSKQASEILNEYFYSHLSNPYPSEEAKEELARKCGITVSQVSNWFGNKRIRYKKNI

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	110

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6. Citations (1)

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length_a	69.430 Å
length_b	69.430 Å
length_c	100.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.400 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.2240
r_free	0.3040

fit	/app/data/saxs_computation/b8/1b8i/1b8i.fit
pddf	/app/data/pr_computation/b8/1b8i/1b8i.pr.out
profile	/app/data/saxs_computation/b8/1b8i/1b8i.dat

STRUCTURE OF THE HOMEOTIC UBX/EXD/DNA TERNARY 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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)