THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS

Method: X-RAY DIFFRACTION D_max: 81.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ban
deposition_date	1993-05-19
title	THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS
keywords	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	26.19 Å
rg_electron	25.56 Å
i0	22000700.00
molecular_weight	36061.0 kDa
excluded_volume	45074 Å³
envelope_volume	57462 Å³
shell_volume	19726 Å³
envelope_diameter	84.1 Å
shell_rg	31.00 Å
envelope_rg	25.05 Å
shape_rg	25.55 Å
total_rg	26.25 Å
total_atoms	2559
n_residues	325
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	81.2 Å
rg_real	26.20 Å
rg_real_error	0.56 Å
i0_real	2.2000e+07
i0_real_error	3.3110e+05
rg_reciprocal	26.20 Å
i0_reciprocal	22000000.0000
total_estimate	0.9073
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	3
r_peak_primary	36.0 Å
skewness	0.205
kurtosis	-0.695
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	3862000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.928; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (3)

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length_a	59.527 Å
length_b	59.527 Å
length_c	82.652 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	2.200 Å
resolution_low	6.000 Å
r_factor	0.1760
r_work	—
r_free	—

description	BARNASE
formula_weight	12382.7 kDa
ec_number	3.1.27.-
src_method	man
entity_count	3

type	polypeptide(L)
strand_id	A,B,C
atom_count	2825

THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS

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 (3)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	266

fit	/app/data/saxs_computation/ba/1ban/1ban.fit
pddf	/app/data/pr_computation/ba/1ban/1ban.pr.out
profile	/app/data/saxs_computation/ba/1ban/1ban.dat

organism	Bacillus amyloliquefaciens
ncbi_taxonomy_id	1390