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1a3q

HUMAN NF-KAPPA-B P52 BOUND TO DNA

Method: X-RAY DIFFRACTION D_max: 102.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a3q
deposition_date	1998-01-23
title	HUMAN NF-KAPPA-B P52 BOUND TO DNA
keywords	TRANSCRIPTION FACTOR, IMMUNE RESPONSE, DNA-PROTEIN 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	30.14 Å
rg_electron	30.65 Å
i0	92602600.00
molecular_weight	70984.0 kDa
excluded_volume	86863 Å³
envelope_volume	116150 Å³
shell_volume	32907 Å³
envelope_diameter	108.2 Å
shell_rg	36.05 Å
envelope_rg	31.11 Å
shape_rg	30.68 Å
total_rg	31.05 Å
total_atoms	4963
n_residues	592
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	102.8 Å
rg_real	30.19 Å
rg_real_error	0.74 Å
i0_real	9.2600e+07
i0_real_error	1.3970e+06
rg_reciprocal	30.17 Å
i0_reciprocal	92600000.0000
total_estimate	0.8836
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	33.0 Å
skewness	0.382
kurtosis	-0.316
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0001
highest_alpha	14350000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.854; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(GPGPGPGPAPAPTPCPCPCP*C)-3') ;
formula_weight	3359.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C
atom_count	5748

GGGGAATCCCC

Entity 2 polymer

description	;DNA (5'-D(GPGPGPGPAPTPTPCPCPCP*C)-3') ;
formula_weight	3350.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

GGGGATTCCCC

Entity 3 polymer

description	PROTEIN (NUCLEAR FACTOR KAPPA-B P52)
formula_weight	32203.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B

GPYLVIVEQPKQRGFRFRYGCEGPSHGGLPGASSEKGRKTYPTVKICNYEGPAKIEVDLVTHSDPPRAHAHSLVGKQCSELGICAVSVGPKDMTAQFNNLGVLHVTKKNMMGTMIQKLQRQRLRSRPQGLTEAEQRELEQEAKELKKVMDLSIVRLRFSAFLRSLPLKPVISQPIHDSKSPGASNLKISRMDKTAGSVRGGDEVYLLCDKVQKDDIEVRFYEDDENGWQAFGDFSPTDVHKQYAIVFRTPPYHKMKIERPVTVFLQLKRKRGGDVSDSKQFTYYP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	785

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6. Citations (2)

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length_a	44.200 Å
length_b	121.000 Å
length_c	134.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2190
r_free	0.3200

fit	/app/data/saxs_computation/a3/1a3q/1a3q.fit
pddf	/app/data/pr_computation/a3/1a3q/1a3q.pr.out
profile	/app/data/saxs_computation/a3/1a3q/1a3q.dat

HUMAN NF-KAPPA-B P52 BOUND TO DNA

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 (2)

7. Files & Curves (10)

Files (7)

Curves (3)