R248L MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE

Method: X-RAY DIFFRACTION D_max: 61.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1esi
deposition_date	2000-04-10
title	R248L MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE
keywords	PENICILLIN-BINDING, DD-TRANSPEPTIDASE, SERINE PEPTIDASE, BETA-LACTAMASE, HYDROLASE CARBOXYPEPTIDASE, HYDROLASE; 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	18.57 Å
rg_electron	17.60 Å
i0	13345100.00
molecular_weight	27248.0 kDa
excluded_volume	34125 Å³
envelope_volume	37458 Å³
shell_volume	17875 Å³
envelope_diameter	62.9 Å
shell_rg	23.75 Å
envelope_rg	17.84 Å
shape_rg	17.59 Å
total_rg	18.54 Å
total_atoms	1910
n_residues	260
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	61.5 Å
rg_real	18.49 Å
rg_real_error	0.40 Å
i0_real	1.3350e+07
i0_real_error	1.5380e+05
rg_reciprocal	18.51 Å
i0_reciprocal	13350000.0000
total_estimate	0.7988
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.6 Å
skewness	0.268
kurtosis	-0.268
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3485000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (3)

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length_a	51.010 Å
length_b	51.750 Å
length_c	84.080 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	8.000 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2330

description	DD-TRANSPEPTIDASE
formula_weight	27464.3 kDa
ec_number	3.4.16.4
mutation	R248L
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2014

R248L MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE

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

Diffraction

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Streptomyces sp.
ncbi_taxonomy_id	1958
host_organism	Streptomyces lividans TK24

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

fit	/app/data/saxs_computation/es/1esi/1esi.fit
pddf	/app/data/pr_computation/es/1esi/1esi.pr.out
profile	/app/data/saxs_computation/es/1esi/1esi.dat