STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K

Method: X-RAY DIFFRACTION D_max: 59.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1djb
deposition_date	1996-08-13
title	STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K
keywords	HYDROLASE, ANTIBIOTIC RESISTANCE, PLASMID, TRANSPOSABLE ELEMENT; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.67 Å
rg_electron	17.65 Å
i0	13597800.00
molecular_weight	28793.0 kDa
excluded_volume	36652 Å³
envelope_volume	40269 Å³
shell_volume	18816 Å³
envelope_diameter	61.4 Å
shell_rg	24.16 Å
envelope_rg	17.97 Å
shape_rg	17.63 Å
total_rg	18.73 Å
total_atoms	2028
n_residues	257
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	59.7 Å
rg_real	18.57 Å
rg_real_error	0.29 Å
i0_real	1.3600e+07
i0_real_error	1.5330e+05
rg_reciprocal	18.58 Å
i0_reciprocal	13600000.0000
total_estimate	0.8108
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.7 Å
skewness	0.217
kurtosis	-0.309
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	3619000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (4)

▶

length_a	53.700 Å
length_b	93.300 Å
length_c	138.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.1700
r_work	0.1700
r_free	—

description	BETA-LACTAMASE
formula_weight	28827.2 kDa
ec_number	3.5.2.6
mutation	S70A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2189

STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K

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 (4)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280
host_organism	SHUTTLE PLASMID FROM ESCHERICHIA COLI MC1061 TO STAPHYLOCOCCUS AUREUS RN4220

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	161

fit	/app/data/saxs_computation/dj/1djb/1djb.fit
pddf	/app/data/pr_computation/dj/1djb/1djb.pr.out
profile	/app/data/saxs_computation/dj/1djb/1djb.dat