SIMPLIFICATION OF A PROTEIN LOOP IN STAPHYLOCOCCAL NUCLEASE

Method: X-RAY DIFFRACTION D_max: 50.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eqv
deposition_date	2000-04-06
title	SIMPLIFICATION OF A PROTEIN LOOP IN STAPHYLOCOCCAL NUCLEASE
keywords	Protein Engineering, Cis peptide, Cis - trans isomerization, 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	15.40 Å
rg_electron	14.36 Å
i0	4446140.00
molecular_weight	15246.0 kDa
excluded_volume	19273 Å³
envelope_volume	21645 Å³
shell_volume	12795 Å³
envelope_diameter	48.6 Å
shell_rg	20.09 Å
envelope_rg	14.64 Å
shape_rg	14.31 Å
total_rg	15.66 Å
total_atoms	1072
n_residues	136
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	50.0 Å
rg_real	15.30 Å
rg_real_error	0.23 Å
i0_real	4.4460e+06
i0_real_error	4.4220e+04
rg_reciprocal	15.31 Å
i0_reciprocal	4446000.0000
total_estimate	0.8845
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.6 Å
skewness	0.114
kurtosis	-0.378
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	839700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	47.390 Å
length_b	47.390 Å
length_c	62.750 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 41
int_tables_number	76
crystal_system	—

resolution	1.940 Å
resolution_low	6.000 Å
r_factor	0.1920
r_work	0.1920
r_free	—

description	THERMONUCLEASE
formula_weight	15266.7 kDa
ec_number	3.1.31.1
mutation	Y113A, V114A, Y115A, K116A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1110

SIMPLIFICATION OF A PROTEIN LOOP IN STAPHYLOCOCCAL NUCLEASE

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 (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	38

fit	/app/data/saxs_computation/eq/1eqv/1eqv.fit
pddf	/app/data/pr_computation/eq/1eqv/1eqv.pr.out
profile	/app/data/saxs_computation/eq/1eqv/1eqv.dat