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1djc

STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 120K

Method: X-RAY DIFFRACTION D_max: 59.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1djc
deposition_date	1996-08-13
title	STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 120K
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	18.55 Å
rg_electron	17.52 Å
i0	14237800.00
molecular_weight	29067.0 kDa
excluded_volume	36795 Å³
envelope_volume	40136 Å³
shell_volume	18800 Å³
envelope_diameter	59.5 Å
shell_rg	24.16 Å
envelope_rg	17.90 Å
shape_rg	17.49 Å
total_rg	18.62 Å
total_atoms	2042
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

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3. P(r) Analysis (GNOM)

dmax	59.3 Å
rg_real	18.45 Å
rg_real_error	0.38 Å
i0_real	1.4240e+07
i0_real_error	1.7570e+05
rg_reciprocal	18.46 Å
i0_reciprocal	14240000.0000
total_estimate	0.6686
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	23.6 Å
skewness	0.200
kurtosis	-0.328
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3944000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 0.391; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2517

KELNDLEKKYNAHIGVYALDTKSGKEVKFNSDKRFAYAATSKAINSAILLEQVPYNKLNKKVHINKDDIVAYSPILEKYVGKDITLKALIEASMTYSDNTANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVADKSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEF

Source

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

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	426

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6. Citations (5)

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length_a	53.300 Å
length_b	87.400 Å
length_c	139.800 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	2.000 Å
resolution_low	8.000 Å
r_factor	0.1710
r_work	0.1710
r_free	—

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

STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 120K

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