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1b72

PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX

Method: X-RAY DIFFRACTION D_max: 68.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b72
deposition_date	1999-01-27
title	PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX
keywords	HOMEODOMAIN, DNA, COMPLEX, DNA-BINDING PROTEIN, PROTEIN-DNA COMPLEX; PROTEIN/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	20.41 Å
rg_electron	19.85 Å
i0	22461800.00
molecular_weight	28306.0 kDa
excluded_volume	32011 Å³
envelope_volume	41955 Å³
shell_volume	18337 Å³
envelope_diameter	71.5 Å
shell_rg	25.39 Å
envelope_rg	19.97 Å
shape_rg	19.82 Å
total_rg	20.56 Å
total_atoms	1949
n_residues	181
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	68.6 Å
rg_real	20.42 Å
rg_real_error	0.57 Å
i0_real	2.2460e+07
i0_real_error	3.0210e+05
rg_reciprocal	20.42 Å
i0_reciprocal	22460000.0000
total_estimate	0.8046
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.379
kurtosis	-0.271
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	3062000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;DNA (5'-D(APCPTPCPTPAPTPGPAPTPTPGPAPTPCPGPGPCPTPG)-3') ;
formula_weight	6140.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D
atom_count	2010

ACTCTATGATTGATCGGCTG

Entity 2 polymer

description	;DNA (5'-D(TPCPAPGPCPCPGPAPTPCPAPAPTPCPAPTPAPGPAPG)-3') ;
formula_weight	6127.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	E

TCAGCCGATCAATCATAGAG

Entity 3 polymer

description	PROTEIN (HOMEOBOX PROTEIN HOX-B1)
formula_weight	11443.1 kDa
mutation	1 RESIDUE (MET) ADDED TO N-TERMINUS
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

MEPNTPTARTFDWMKVKRNPPKTAKVSEPGLGSPSGLRTNFTTRQLTELEKEFHFNKYLSRARRVEIAATLELNETQVKIWFQNRRMKQKKREREGG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 4 polymer

description	PROTEIN (PBX1)
formula_weight	10073.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

ARRKRRNFNKQATEILNEYFYSHLSNPYPSEEAKEELAKKCGITVSQVSNWFGNKRIRYKKNIGKFQEEANIYAAKTAVTATNVSAH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	61

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6. Citations (1)

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length_a	58.670 Å
length_b	64.580 Å
length_c	81.910 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.350 Å
resolution_low	30.000 Å
r_factor	0.2430
r_work	0.2430
r_free	0.2770

fit	/app/data/saxs_computation/b7/1b72/1b72.fit
pddf	/app/data/pr_computation/b7/1b72/1b72.pr.out
profile	/app/data/saxs_computation/b7/1b72/1b72.dat

PBX1, HOMEOBOX PROTEIN HOX-B1/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)