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1bu4

;RIBONUCLEASE 1 COMPLEX WITH 2'GMP ;

Method: X-RAY DIFFRACTION D_max: 41.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bu4
deposition_date	1998-09-11
title	;RIBONUCLEASE 1 COMPLEX WITH 2'GMP ;
keywords	HYDROLASE, ENDORIBONUCLEASE; ENDORIBONUCLEASE
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	13.80 Å
rg_electron	12.37 Å
i0	3277920.00
molecular_weight	11483.0 kDa
excluded_volume	13744 Å³
envelope_volume	15150 Å³
shell_volume	10448 Å³
envelope_diameter	40.9 Å
shell_rg	18.11 Å
envelope_rg	12.64 Å
shape_rg	12.32 Å
total_rg	13.69 Å
total_atoms	806
n_residues	104
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	41.7 Å
rg_real	13.68 Å
rg_real_error	0.18 Å
i0_real	3.2780e+06
i0_real_error	2.9430e+04
rg_reciprocal	13.69 Å
i0_reciprocal	3278000.0000
total_estimate	0.8999
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.5 Å
skewness	0.028
kurtosis	-0.462
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	719200.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	RIBONUCLEASE T1
formula_weight	11094.7 kDa
ec_number	3.1.27.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	886

ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT

Source

organism	Aspergillus oryzae
ncbi_taxonomy_id	5062
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GUANOSINE-2'-MONOPHOSPHATE
formula_weight	363.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	79

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6. Citations (1)

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length_a	40.510 Å
length_b	48.000 Å
length_c	50.810 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.1850
r_work	0.1800
r_free	0.2300

fit	/app/data/saxs_computation/bu/1bu4/1bu4.fit
pddf	/app/data/pr_computation/bu/1bu4/1bu4.pr.out
profile	/app/data/saxs_computation/bu/1bu4/1bu4.dat

;RIBONUCLEASE 1 COMPLEX WITH 2'GMP ;

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

Diffraction