Sphericase

Method: X-RAY DIFFRACTION D_max: 56.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ea7
deposition_date	2001-07-10
title	Sphericase
keywords	HYDROLASE, SERINE PROTEASE, SPHERICASE, SUBTILISIN LIKE PROTEASE; 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	18.59 Å
rg_electron	17.45 Å
i0	19676400.00
molecular_weight	32116.0 kDa
excluded_volume	39415 Å³
envelope_volume	42524 Å³
shell_volume	19751 Å³
envelope_diameter	58.5 Å
shell_rg	24.29 Å
envelope_rg	17.71 Å
shape_rg	17.44 Å
total_rg	18.35 Å
total_atoms	4276
n_residues	309
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	56.8 Å
rg_real	18.44 Å
rg_real_error	0.20 Å
i0_real	1.9680e+07
i0_real_error	2.0220e+05
rg_reciprocal	18.46 Å
i0_reciprocal	19680000.0000
total_estimate	0.9013
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.1 Å
skewness	0.046
kurtosis	-0.537
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	4904000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	46.280 Å
length_b	62.380 Å
length_c	46.120 Å
angle_alpha	90.00 °
angle_beta	114.31 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	0.930 Å
resolution_low	42.300 Å
r_factor	0.0970
r_work	—
r_free	0.1164

description	SERINE PROTEASE
formula_weight	31944.7 kDa
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	5059

Sphericase

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	5

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	676

fit	/app/data/saxs_computation/ea/1ea7/1ea7.fit
pddf	/app/data/pr_computation/ea/1ea7/1ea7.pr.out
profile	/app/data/saxs_computation/ea/1ea7/1ea7.dat