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1c9n

BACILLUS LENTUS SUBSTILISIN VARIANT (SER 87) K27R/V104Y/N123S/T274A

Method: X-RAY DIFFRACTION D_max: 51.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c9n
deposition_date	1999-08-02
title	BACILLUS LENTUS SUBSTILISIN VARIANT (SER 87) K27R/V104Y/N123S/T274A
keywords	SUBTILIIN, ALTERED FLEXIBILITY, HYDROLASE, SITE-SPECIFIC VARIANT; 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	17.57 Å
rg_electron	16.33 Å
i0	14465000.00
molecular_weight	27068.0 kDa
excluded_volume	33169 Å³
envelope_volume	35735 Å³
shell_volume	17863 Å³
envelope_diameter	52.5 Å
shell_rg	22.95 Å
envelope_rg	16.46 Å
shape_rg	16.33 Å
total_rg	17.23 Å
total_atoms	1900
n_residues	269
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	51.9 Å
rg_real	17.40 Å
rg_real_error	0.21 Å
i0_real	1.4460e+07
i0_real_error	1.5430e+05
rg_reciprocal	17.42 Å
i0_reciprocal	14470000.0000
total_estimate	0.8248
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.5 Å
skewness	-0.013
kurtosis	-0.529
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	3975000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.917; Stabil: 0.998; 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 (5)

Entity 1 polymer

description	Subtilisin Savinase
formula_weight	26753.4 kDa
ec_number	3.4.21.62
mutation	K27R, V104Y, N123S, T274A FROM NATIVE (SER 87)
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2031

AQSVPWGISRVQAPAAHNRGLTGSGVRVAVLDTGISTHPDLNIRGGASFVPGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSGSYSSIAQGLEWAGNNGMHVASLSLGSPSPSATLEQAVNSATSRGVLVVAASGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQSTYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATSLGSTNLYGSGLVNAEAAAR

Source

organism	Lederbergia lenta
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 non-polymer

description	phenylmethanesulfonic acid
formula_weight	172.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	131

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6. Citations (1)

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length_a	48.250 Å
length_b	54.150 Å
length_c	84.500 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	1.500 Å
resolution_low	10.000 Å
r_factor	0.1630
r_work	0.1630
r_free	—

fit	/app/data/saxs_computation/c9/1c9n/1c9n.fit
pddf	/app/data/pr_computation/c9/1c9n/1c9n.pr.out
profile	/app/data/saxs_computation/c9/1c9n/1c9n.dat