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1bdh

PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX

Method: X-RAY DIFFRACTION D_max: 100.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bdh
deposition_date	1996-07-25
title	PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX
keywords	TRANSCRIPTION REGULATION, DNA-BINDING, REPRESSOR, PURINE BIOSYNTHESIS, COMPLEX (DNA-BINDING PROTEIN-DNA), 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	30.00 Å
rg_electron	28.95 Å
i0	36579300.00
molecular_weight	43074.0 kDa
excluded_volume	52228 Å³
envelope_volume	69125 Å³
shell_volume	22653 Å³
envelope_diameter	106.6 Å
shell_rg	32.27 Å
envelope_rg	29.40 Å
shape_rg	28.90 Å
total_rg	29.41 Å
total_atoms	3003
n_residues	355
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	100.5 Å
rg_real	30.35 Å
rg_real_error	0.88 Å
i0_real	3.6580e+07
i0_real_error	5.7800e+05
rg_reciprocal	30.20 Å
i0_reciprocal	36580000.0000
total_estimate	0.8136
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.530
kurtosis	-0.500
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	4860000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.713; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.564; Smooth: 0.871

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(TPAPCPGPCPAPAPAPCPGPTPTPTPGPCPGP*T )-3') ;
formula_weight	5202.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B
atom_count	3056

TACGCAAACGTTTGCGT

Entity 2 polymer

description	PROTEIN (PURINE REPRESSOR)
formula_weight	38033.5 kDa
mutation	K55A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

ATIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLAVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVADGPFRDYRR

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 3 non-polymer

description	HYPOXANTHINE
formula_weight	136.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	53

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6. Citations (2)

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length_a	176.060 Å
length_b	95.490 Å
length_c	80.490 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.700 Å
resolution_low	10.000 Å
r_factor	0.1680
r_work	—
r_free	—

fit	/app/data/saxs_computation/bd/1bdh/1bdh.fit
pddf	/app/data/pr_computation/bd/1bdh/1bdh.pr.out
profile	/app/data/saxs_computation/bd/1bdh/1bdh.dat

PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR 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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)