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1brs

PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 95.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brs
deposition_date	1994-03-11
title	PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A RESOLUTION
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	30.93 Å
rg_electron	30.56 Å
i0	66387100.00
molecular_weight	65396.0 kDa
excluded_volume	82210 Å³
envelope_volume	103300 Å³
shell_volume	29308 Å³
envelope_diameter	101.3 Å
shell_rg	36.13 Å
envelope_rg	30.31 Å
shape_rg	30.51 Å
total_rg	31.25 Å
total_atoms	4638
n_residues	588
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	95.9 Å
rg_real	30.92 Å
rg_real_error	0.79 Å
i0_real	6.6390e+07
i0_real_error	1.0320e+06
rg_reciprocal	30.93 Å
i0_reciprocal	66390000.0000
total_estimate	0.6882
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	94.0 Å
skewness	0.225
kurtosis	-0.584
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	12410000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.967; Stabil: 1.000; Sysdev: 0.115; Positv: 1.000; Valcen: 0.961; Smooth: 0.736

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	5153

AQVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR

Source

organism	Bacillus amyloliquefaciens
ncbi_taxonomy_id	1390
host_organism	Escherichia coli

Entity 2 polymer

description	BARSTAR
formula_weight	10157.4 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	D,E,F

KKAVINGEQIRSISDLHQTLKKELALPEYYGENLDALWDALTGWVEYPLVLEWRQFEQSKQLTENGAESVLQVFREAKAEGADITIILS

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	513

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6. Citations (5)

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length_a	207.250 Å
length_b	43.860 Å
length_c	84.710 Å
angle_alpha	90.00 °
angle_beta	107.76 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	7.000 Å
r_factor	0.1720
r_work	—
r_free	—

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

PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A 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

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)