STRUCTURE OF BETA-LACTAMASE PRECURSOR, K73H MUTANT, AT 298K

Method: X-RAY DIFFRACTION D_max: 61.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dja
deposition_date	1996-08-13
title	STRUCTURE OF BETA-LACTAMASE PRECURSOR, K73H MUTANT, AT 298K
keywords	HYDROLASE, ANTIBIOTIC RESISTANCE, PLASMID, TRANSPOSABLE ELEMENT; 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	18.72 Å
rg_electron	17.74 Å
i0	13867700.00
molecular_weight	28948.0 kDa
excluded_volume	36793 Å³
envelope_volume	40935 Å³
shell_volume	19017 Å³
envelope_diameter	61.4 Å
shell_rg	24.19 Å
envelope_rg	18.06 Å
shape_rg	17.71 Å
total_rg	18.82 Å
total_atoms	2038
n_residues	258
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	61.3 Å
rg_real	18.62 Å
rg_real_error	0.32 Å
i0_real	1.3870e+07
i0_real_error	1.6440e+05
rg_reciprocal	18.63 Å
i0_reciprocal	13870000.0000
total_estimate	0.8801
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.5 Å
skewness	0.218
kurtosis	-0.311
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	3844000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (4)

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length_a	53.900 Å
length_b	93.600 Å
length_c	139.100 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	1.900 Å
resolution_low	8.000 Å
r_factor	0.1680
r_work	0.1680
r_free	—

description	BETA-LACTAMASE
formula_weight	28983.4 kDa
ec_number	3.5.2.6
mutation	A30M, K73H
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2215

STRUCTURE OF BETA-LACTAMASE PRECURSOR, K73H 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	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	177

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