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163l

CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND

Method: X-RAY DIFFRACTION D_max: 58.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	163l
deposition_date	1994-06-20
title	CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND
keywords	HYDROLASE(O-GLYCOSYL); HYDROLASE(O-GLYCOSYL)
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	17.43 Å
rg_electron	16.46 Å
i0	6538670.00
molecular_weight	18535.0 kDa
excluded_volume	23212 Å³
envelope_volume	26695 Å³
shell_volume	14131 Å³
envelope_diameter	58.9 Å
shell_rg	21.71 Å
envelope_rg	16.58 Å
shape_rg	16.43 Å
total_rg	17.43 Å
total_atoms	1298
n_residues	162
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	58.0 Å
rg_real	17.41 Å
rg_real_error	0.40 Å
i0_real	6.5390e+06
i0_real_error	7.3850e+04
rg_reciprocal	17.41 Å
i0_reciprocal	6539000.0000
total_estimate	0.7963
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	20.9 Å
skewness	0.346
kurtosis	-0.220
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	1493000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.789; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	T4 LYSOZYME
formula_weight	18571.3 kDa
ec_number	3.2.1.17
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1453

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQAKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL

Source

organism	Enterobacteria phage T4
ncbi_taxonomy_id	10665

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	155

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6. Citations (2)

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length_a	60.850 Å
length_b	60.850 Å
length_c	97.020 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	20.000 Å
r_factor	0.1460
r_work	—
r_free	—

fit	/app/data/saxs_computation/63/163l/163l.fit
pddf	/app/data/pr_computation/63/163l/163l.pr.out
profile	/app/data/saxs_computation/63/163l/163l.dat