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1brn

SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 67.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brn
deposition_date	1993-11-17
title	SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION
keywords	PROTEIN-DNA COMPLEX, HYDROLASE-DNA COMPLEX; HYDROLASE/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	19.45 Å
rg_electron	19.24 Å
i0	12940200.00
molecular_weight	25742.0 kDa
excluded_volume	31557 Å³
envelope_volume	36130 Å³
shell_volume	16196 Å³
envelope_diameter	65.0 Å
shell_rg	24.70 Å
envelope_rg	19.39 Å
shape_rg	19.24 Å
total_rg	19.99 Å
total_atoms	1819
n_residues	224
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	67.0 Å
rg_real	19.49 Å
rg_real_error	0.51 Å
i0_real	1.2940e+07
i0_real_error	1.8140e+05
rg_reciprocal	19.48 Å
i0_reciprocal	12940000.0000
total_estimate	0.8601
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.8 Å
skewness	0.402
kurtosis	-0.313
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	5380000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.770; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.868; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	;DNA (5'-D(CPGPAPC)-3') ;
formula_weight	1175.8 kDa
src_method	syn
entity_count	2

Polymer

type	polydeoxyribonucleotide
strand_id	A,B
atom_count	2083

CGAC

Entity 2 polymer

description	PROTEIN (BARNASE (E.C.3.1.27.-))
formula_weight	12398.7 kDa
ec_number	3.1.27.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	L,M

AQVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR

Source

organism	Bacillus amyloliquefaciens
ncbi_taxonomy_id	1390
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	229

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6. Citations (2)

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length_a	39.866 Å
length_b	54.286 Å
length_c	29.607 Å
angle_alpha	107.77 °
angle_beta	89.05 °
angle_gamma	96.37 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.760 Å
resolution_low	— Å
r_factor	0.1900
r_work	0.1900
r_free	—

fit	/app/data/saxs_computation/br/1brn/1brn.fit
pddf	/app/data/pr_computation/br/1brn/1brn.pr.out
profile	/app/data/saxs_computation/br/1brn/1brn.dat

SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION

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 (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)