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181l

SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY

Method: X-RAY DIFFRACTION D_max: 58.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	181l
deposition_date	1995-04-19
title	SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
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	16.45 Å
i0	6618890.00
molecular_weight	18626.0 kDa
excluded_volume	23312 Å³
envelope_volume	26524 Å³
shell_volume	14077 Å³
envelope_diameter	59.1 Å
shell_rg	21.75 Å
envelope_rg	16.55 Å
shape_rg	16.43 Å
total_rg	17.44 Å
total_atoms	1305
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	58.6 Å
rg_real	17.41 Å
rg_real_error	0.41 Å
i0_real	6.6190e+06
i0_real_error	8.5200e+04
rg_reciprocal	17.41 Å
i0_reciprocal	6619000.0000
total_estimate	0.6414
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	21.1 Å
skewness	0.359
kurtosis	-0.202
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	1516000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.760; Stabil: 0.997; Sysdev: 0.363; Positv: 1.000; Valcen: 0.975; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	T4 LYSOZYME
formula_weight	18586.3 kDa
ec_number	3.2.1.17
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1441

MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL

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	2-HYDROXYETHYL DISULFIDE
formula_weight	154.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	BENZENE
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

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6. Citations (3)

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length_a	60.900 Å
length_b	60.900 Å
length_c	97.000 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	0.1580
r_work	—
r_free	—

fit	/app/data/saxs_computation/81/181l/181l.fit
pddf	/app/data/pr_computation/81/181l/181l.pr.out
profile	/app/data/saxs_computation/81/181l/181l.dat