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12as

ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE AND AMP

Method: X-RAY DIFFRACTION D_max: 87.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12as
deposition_date	1997-12-02
title	ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE AND AMP
keywords	LIGASE, ASPARAGINE SYNTHETASE, NITROGEN FIXATION; LIGASE
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	26.71 Å
rg_electron	25.67 Å
i0	90222700.00
molecular_weight	73383.0 kDa
excluded_volume	91376 Å³
envelope_volume	107540 Å³
shell_volume	34365 Å³
envelope_diameter	89.2 Å
shell_rg	33.67 Å
envelope_rg	25.70 Å
shape_rg	25.69 Å
total_rg	26.43 Å
total_atoms	5182
n_residues	654
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	87.5 Å
rg_real	26.67 Å
rg_real_error	0.58 Å
i0_real	9.0220e+07
i0_real_error	1.2240e+06
rg_reciprocal	26.69 Å
i0_reciprocal	90220000.0000
total_estimate	0.7002
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.1 Å
skewness	0.348
kurtosis	-0.295
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	37900000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.852; Stabil: 1.000; Sysdev: 0.199; Positv: 1.000; Valcen: 0.994; Smooth: 0.953

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARAGINE SYNTHETASE
formula_weight	36633.4 kDa
ec_number	6.3.1.1
mutation	C51A, C315A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5385

MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL

Source

organism	Escherichia coli K12
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 non-polymer

description	ASPARAGINE
formula_weight	132.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ADENOSINE MONOPHOSPHATE
formula_weight	347.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	203

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6. Citations (3)

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length_a	53.000 Å
length_b	126.130 Å
length_c	52.860 Å
angle_alpha	90.00 °
angle_beta	105.59 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.1640
r_work	0.1640
r_free	0.2870

fit	/app/data/saxs_computation/2a/12as/12as.fit
pddf	/app/data/pr_computation/2a/12as/12as.pr.out
profile	/app/data/saxs_computation/2a/12as/12as.dat

ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE AND AMP

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