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1c8w

THR45GLY VARIANT OF RIBONUCLEASE A

Method: X-RAY DIFFRACTION D_max: 50.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c8w
deposition_date	1999-07-30
title	THR45GLY VARIANT OF RIBONUCLEASE A
keywords	ANTI-PARALLEL BETA SHEET, RNASE A, HYDROLASE; HYDROLASE
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	15.38 Å
rg_electron	14.43 Å
i0	4576290.00
molecular_weight	13816.0 kDa
excluded_volume	16659 Å³
envelope_volume	19307 Å³
shell_volume	11651 Å³
envelope_diameter	49.4 Å
shell_rg	19.76 Å
envelope_rg	14.69 Å
shape_rg	14.43 Å
total_rg	15.43 Å
total_atoms	955
n_residues	124
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	50.4 Å
rg_real	15.32 Å
rg_real_error	0.25 Å
i0_real	4.5760e+06
i0_real_error	5.0380e+04
rg_reciprocal	15.32 Å
i0_reciprocal	4576000.0000
total_estimate	0.8945
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	17.9 Å
skewness	0.227
kurtosis	-0.432
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	937400.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (Ribonuclease A)
formula_weight	13664.3 kDa
mutation	T45G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1090

KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNGFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	115

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6. Citations (1)

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length_a	64.320 Å
length_b	64.320 Å
length_c	64.840 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.800 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1760
r_free	—

fit	/app/data/saxs_computation/c8/1c8w/1c8w.fit
pddf	/app/data/pr_computation/c8/1c8w/1c8w.pr.out
profile	/app/data/saxs_computation/c8/1c8w/1c8w.dat

THR45GLY VARIANT OF RIBONUCLEASE A

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