CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE

Method: X-RAY DIFFRACTION D_max: 60.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ceg
deposition_date	1995-01-12
title	CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE
keywords	D-AMINO ACID PEPTIDASE, PENICILLIN TARGET, HYDROLASE-TRANSPEPTIDASE; HYDROLASE-TRANSPEPTIDASE
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	20.01 Å
rg_electron	18.88 Å
i0	25122200.00
molecular_weight	37504.0 kDa
excluded_volume	46455 Å³
envelope_volume	51331 Å³
shell_volume	22024 Å³
envelope_diameter	61.1 Å
shell_rg	25.89 Å
envelope_rg	19.12 Å
shape_rg	18.86 Å
total_rg	19.77 Å
total_atoms	2637
n_residues	347
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	60.4 Å
rg_real	19.88 Å
rg_real_error	0.28 Å
i0_real	2.5120e+07
i0_real_error	3.0640e+05
rg_reciprocal	19.90 Å
i0_reciprocal	25120000.0000
total_estimate	0.9064
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.113
kurtosis	-0.484
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	6168000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (5)

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length_a	51.100 Å
length_b	67.300 Å
length_c	101.800 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	1.800 Å
resolution_low	20.000 Å
r_factor	0.1660
r_work	0.1660
r_free	0.2120

description	D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE
formula_weight	37422.6 kDa
ec_number	3.4.16.4
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2886

CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)

description	CEPHALOTHIN GROUP
formula_weight	398.5 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	249

fit	/app/data/saxs_computation/ce/1ceg/1ceg.fit
pddf	/app/data/pr_computation/ce/1ceg/1ceg.pr.out
profile	/app/data/saxs_computation/ce/1ceg/1ceg.dat