S216A MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE

Method: X-RAY DIFFRACTION D_max: 63.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1es5
deposition_date	2000-04-07
title	S216A MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE
keywords	PENICILLIN-BINDING, DD-TRANSPEPTIDASE, SERINE PEPTIDASE, BETA-LACTAMASE, HYDROLASE CARBOXYPEPTIDASE, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.55 Å
rg_electron	17.60 Å
i0	13417600.00
molecular_weight	27276.0 kDa
excluded_volume	34133 Å³
envelope_volume	37438 Å³
shell_volume	17849 Å³
envelope_diameter	63.0 Å
shell_rg	23.71 Å
envelope_rg	17.86 Å
shape_rg	17.59 Å
total_rg	18.53 Å
total_atoms	1912
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

▼

3. P(r) Analysis (GNOM)

dmax	63.9 Å
rg_real	18.47 Å
rg_real_error	0.36 Å
i0_real	1.3420e+07
i0_real_error	1.7330e+05
rg_reciprocal	18.49 Å
i0_reciprocal	13420000.0000
total_estimate	0.7864
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.8 Å
skewness	0.269
kurtosis	-0.270
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3468000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.741; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (3)

▶

length_a	45.930 Å
length_b	53.756 Å
length_c	105.061 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	1.400 Å
resolution_low	8.000 Å
r_factor	0.2120
r_work	0.2120
r_free	0.2450

description	DD-TRANSPEPTIDASE
formula_weight	27492.3 kDa
ec_number	3.4.16.4
mutation	S216A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2148

S216A 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

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	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	236

fit	/app/data/saxs_computation/es/1es5/1es5.fit
pddf	/app/data/pr_computation/es/1es5/1es5.pr.out
profile	/app/data/saxs_computation/es/1es5/1es5.dat