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148l

A COVALENT ENZYME-SUBSTRATE INTERMEDIATE WITH SACCHARIDE DISTORTION IN A MUTANT T4 LYSOZYME

Method: X-RAY DIFFRACTION D_max: 57.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	148l
deposition_date	1993-10-27
title	A COVALENT ENZYME-SUBSTRATE INTERMEDIATE WITH SACCHARIDE DISTORTION IN A MUTANT T4 LYSOZYME
keywords	O-GLYCOSYL, HYDROLASE-HYDROLASE SUBSTRATE complex; HYDROLASE/HYDROLASE SUBSTRATE
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	17.20 Å
rg_electron	16.21 Å
i0	7112710.00
molecular_weight	19414.0 kDa
excluded_volume	24312 Å³
envelope_volume	26845 Å³
shell_volume	14307 Å³
envelope_diameter	60.3 Å
shell_rg	21.78 Å
envelope_rg	16.48 Å
shape_rg	16.19 Å
total_rg	17.24 Å
total_atoms	1363
n_residues	164
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	57.9 Å
rg_real	17.19 Å
rg_real_error	0.35 Å
i0_real	7.1130e+06
i0_real_error	7.6930e+04
rg_reciprocal	17.19 Å
i0_reciprocal	7113000.0000
total_estimate	0.7852
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	21.3 Å
skewness	0.387
kurtosis	-0.132
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	1709000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.742; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; 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	18656.4 kDa
ec_number	3.2.1.17
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	1525

MNIFEMLRIDEGLRLKIYKDTEGYYEIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL

Source

organism	Enterobacteria phage T4
ncbi_taxonomy_id	10665

Entity 2 polymer

description	SUBSTRATE CLEAVED FROM CELL WALL OF ESCHERICHIA COLI
formula_weight	461.5 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	S

AEKA

Entity 3 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid
formula_weight	496.5 kDa
src_method	man
entity_count	1

Entity 4 non-polymer

description	BETA-MERCAPTOETHANOL
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	140

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6. Citations (2)

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length_a	50.900 Å
length_b	67.300 Å
length_c	49.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.1680
r_work	—
r_free	—

fit	/app/data/saxs_computation/48/148l/148l.fit
pddf	/app/data/pr_computation/48/148l/148l.pr.out
profile	/app/data/saxs_computation/48/148l/148l.dat

A COVALENT ENZYME-SUBSTRATE INTERMEDIATE WITH SACCHARIDE DISTORTION IN A MUTANT T4 LYSOZYME

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 branched

Entity 4 non-polymer

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)