BARNASE MUTANT WITH LEU 14 REPLACED BY ALA

Method: X-RAY DIFFRACTION D_max: 79.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brh
deposition_date	1995-03-09
title	BARNASE MUTANT WITH LEU 14 REPLACED BY ALA
keywords	ALPHA/BETA PROTEIN, ENDONUCLEASE; ENDONUCLEASE
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	25.61 Å
rg_electron	24.98 Å
i0	22497300.00
molecular_weight	35917.0 kDa
excluded_volume	44621 Å³
envelope_volume	56005 Å³
shell_volume	19677 Å³
envelope_diameter	81.0 Å
shell_rg	30.36 Å
envelope_rg	24.58 Å
shape_rg	24.97 Å
total_rg	25.66 Å
total_atoms	2525
n_residues	321
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	79.4 Å
rg_real	25.63 Å
rg_real_error	0.46 Å
i0_real	2.2500e+07
i0_real_error	2.7260e+05
rg_reciprocal	25.63 Å
i0_reciprocal	22500000.0000
total_estimate	0.9081
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	3
r_peak_primary	34.6 Å
skewness	0.239
kurtosis	-0.657
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	4131000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.966; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	58.800 Å
length_b	58.800 Å
length_c	81.680 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	2.000 Å
resolution_low	7.000 Å
r_factor	0.1550
r_work	—
r_free	—

description	BARNASE
formula_weight	12356.6 kDa
ec_number	3.1.27.-
src_method	man
entity_count	3

type	polypeptide(L)
strand_id	A,B,C
atom_count	2802

BARNASE MUTANT WITH LEU 14 REPLACED BY ALA

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

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Bacillus amyloliquefaciens
ncbi_taxonomy_id	1390
host_organism	Escherichia coli

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	274

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