BARNASE WILDTYPE STRUCTURE AT PH 6.0

Method: X-RAY DIFFRACTION D_max: 82.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bni
deposition_date	1995-05-17
title	BARNASE WILDTYPE STRUCTURE AT PH 6.0
keywords	ALPHA/BETA PROTEIN, MICROBIAL RIBONUCLEASE; MICROBIAL RIBONUCLEASE
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	26.28 Å
rg_electron	25.62 Å
i0	21945200.00
molecular_weight	35972.0 kDa
excluded_volume	44918 Å³
envelope_volume	57172 Å³
shell_volume	19452 Å³
envelope_diameter	84.5 Å
shell_rg	31.26 Å
envelope_rg	25.24 Å
shape_rg	25.61 Å
total_rg	26.32 Å
total_atoms	2546
n_residues	323
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	82.4 Å
rg_real	26.29 Å
rg_real_error	0.55 Å
i0_real	2.1950e+07
i0_real_error	2.8990e+05
rg_reciprocal	26.29 Å
i0_reciprocal	21950000.0000
total_estimate	0.9036
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	3
r_peak_primary	37.1 Å
skewness	0.205
kurtosis	-0.699
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	3690000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.900; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	59.390 Å
length_b	59.390 Å
length_c	82.590 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	P 32
int_tables_number	145
crystal_system	—

resolution	2.100 Å
resolution_low	10.000 Å
r_factor	0.1790
r_work	—
r_free	—

description	BARNASE
formula_weight	12398.7 kDa
ec_number	3.1.27.-
src_method	man
entity_count	3

type	polypeptide(L)
strand_id	A,B,C
atom_count	2763

BARNASE WILDTYPE STRUCTURE AT PH 6.0

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Bacillus amyloliquefaciens
ncbi_taxonomy_id	1390
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	216

fit	/app/data/saxs_computation/bn/1bni/1bni.fit
pddf	/app/data/pr_computation/bn/1bni/1bni.pr.out
profile	/app/data/saxs_computation/bn/1bni/1bni.dat