N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE

Method: X-RAY DIFFRACTION D_max: 58.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ck3
deposition_date	1999-04-27
title	N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE
keywords	BETA-LACTAMASE, CLAVULANATE-RESISTANT, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.75 Å
rg_electron	17.50 Å
i0	14973500.00
molecular_weight	28515.0 kDa
excluded_volume	35439 Å³
envelope_volume	39099 Å³
shell_volume	18504 Å³
envelope_diameter	60.2 Å
shell_rg	23.90 Å
envelope_rg	17.75 Å
shape_rg	17.53 Å
total_rg	18.30 Å
total_atoms	2001
n_residues	263
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	58.4 Å
rg_real	18.64 Å
rg_real_error	0.33 Å
i0_real	1.4970e+07
i0_real_error	1.8110e+05
rg_reciprocal	18.66 Å
i0_reciprocal	14970000.0000
total_estimate	0.8212
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.169
kurtosis	-0.375
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	2810000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (1)

▶

length_a	41.820 Å
length_b	60.360 Å
length_c	88.650 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	2.280 Å
resolution_low	23.600 Å
r_factor	0.1650
r_work	0.1650
r_free	0.2350

description	BETA-LACTAMASE
formula_weight	28985.1 kDa
ec_number	3.5.2.6
mutation	V84I, A184V, N276D
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2081

N276D MUTANT OF ESCHERICHIA COLI TEM-1 BETA-LACTAMASE

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 (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	76

fit	/app/data/saxs_computation/ck/1ck3/1ck3.fit
pddf	/app/data/pr_computation/ck/1ck3/1ck3.pr.out
profile	/app/data/saxs_computation/ck/1ck3/1ck3.dat