SAXSdb — 1bpx

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1. Structure Basics

entry_id	1bpx
deposition_date	1997-04-11
title	DNA POLYMERASE BETA/DNA COMPLEX
keywords	NUCLEOTIDYLTRANSFERASE, DNA REPAIR, BASE EXCISION REPAIR PATHWAY, TRANSFERASE-DNA COMPLEX; TRANSFERASE/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	23.60 Å
rg_electron	22.92 Å
i0	47403400.00
molecular_weight	47248.0 kDa
excluded_volume	56541 Å³
envelope_volume	72296 Å³
shell_volume	26274 Å³
envelope_diameter	74.3 Å
shell_rg	29.76 Å
envelope_rg	22.68 Å
shape_rg	22.91 Å
total_rg	23.68 Å
total_atoms	3287
n_residues	361
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	72.2 Å
rg_real	23.43 Å
rg_real_error	0.33 Å
i0_real	4.7400e+07
i0_real_error	6.0630e+05
rg_reciprocal	23.47 Å
i0_reciprocal	47400000.0000
total_estimate	0.9057
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.6 Å
skewness	0.073
kurtosis	-0.486
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0001
highest_alpha	4179000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;DNA (5'-D(CPCPGPAPCPGPGPCPGPCPAPTPCPAPGPC)-3') ;
formula_weight	4869.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	T
atom_count	3368

CCGACGGCGCATCAGC

Entity 2 polymer

description	;DNA (5'-D(GPCPTPGPAPTPGPCPGPC)-3') ;
formula_weight	3061.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	P

GCTGATGCGC

Entity 3 polymer

description	;DNA (5'-D(GPTPCPGP*G)-3') ;
formula_weight	1536.0 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	D

GTCGG

Entity 4 polymer

description	PROTEIN (DNA POLYMERASE BETA)
formula_weight	38241.7 kDa
ec_number	2.7.7.7
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

MSKRKAPQETLNGGITDMLTELANFEKNVSQAIHKYNAYRKAASVIAKYPHKIKSGAEAKKLPGVGTKIAEKIDEFLATGKLRKLEKIRQDDTSSSINFLTRVSGIGPSAARKFVDEGIKTLEDLRKNEDKLNHHQRIGLKYFGDFEKRIPREEMLQMQDIVLNEVKKVDSEYIATVCGSFRRGAESSGDMDVLLTHPSFTSESTKQPKLLHQVVEQLQKVHFITDTLSKGETKFMGVCQLPSKNDEKEYPHRRIDIRLIPKDQYYCGVLYFTGSDIFNKNMRAHALEKGFTINEYTIRPLGVTGVAGEPLPVDSEKDIFDYIQWKYREPKDRSE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	81

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6. Citations (6)

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length_a	52.767 Å
length_b	79.395 Å
length_c	54.622 Å
angle_alpha	90.00 °
angle_beta	106.35 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2530
r_free	—

fit	/app/data/saxs_computation/bp/1bpx/1bpx.fit
pddf	/app/data/pr_computation/bp/1bpx/1bpx.pr.out
profile	/app/data/saxs_computation/bp/1bpx/1bpx.dat

DNA POLYMERASE BETA/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 (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 polymer

Polymer

Source

Entity 5 non-polymer

Entity 6 water

6. Citations (6)

7. Files & Curves (10)

Files (7)

Curves (3)