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1c9m

BACILLUS LENTUS SUBTILSIN (SER 87) N76D/S103A/V104I

Method: X-RAY DIFFRACTION D_max: 51.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c9m
deposition_date	1999-08-02
title	BACILLUS LENTUS SUBTILSIN (SER 87) N76D/S103A/V104I
keywords	SERINE PROTEASE, SUBTILISIN, SITE-SPECIFIC VARIANT, ALTERED FLEXIBILITY, 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	17.56 Å
rg_electron	16.30 Å
i0	14375600.00
molecular_weight	27031.0 kDa
excluded_volume	33163 Å³
envelope_volume	35633 Å³
shell_volume	17818 Å³
envelope_diameter	52.1 Å
shell_rg	22.96 Å
envelope_rg	16.46 Å
shape_rg	16.30 Å
total_rg	17.23 Å
total_atoms	1897
n_residues	268
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	51.0 Å
rg_real	17.39 Å
rg_real_error	0.20 Å
i0_real	1.4380e+07
i0_real_error	1.4900e+05
rg_reciprocal	17.41 Å
i0_reciprocal	14380000.0000
total_estimate	0.8079
solution_quality	GOOD a GOOD solution
n_peaks	4
r_peak_primary	23.8 Å
skewness	-0.014
kurtosis	-0.517
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	3802000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.876; Stabil: 0.966; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SERINE PROTEASE
formula_weight	26871.6 kDa
ec_number	3.4.21.62
mutation	N76D, S103A, V104I FROM NATIVE (SER 87)
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2001

AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALDNSIGVLGVAPSAELYAVKVLGASGSGAISSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAATR

Source

organism	Bacillus lentus
ncbi_taxonomy_id	1467
host_organism	Bacillus subtilis

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

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6. Citations (1)

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length_a	53.250 Å
length_b	61.250 Å
length_c	75.050 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	1.670 Å
resolution_low	10.000 Å
r_factor	0.1680
r_work	0.1680
r_free	—

fit	/app/data/saxs_computation/c9/1c9m/1c9m.fit
pddf	/app/data/pr_computation/c9/1c9m/1c9m.pr.out
profile	/app/data/saxs_computation/c9/1c9m/1c9m.dat