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11as

ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE

Method: X-RAY DIFFRACTION D_max: 88.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11as
deposition_date	1997-12-02
title	ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE
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	26.84 Å
rg_electron	25.72 Å
i0	87431100.00
molecular_weight	72688.0 kDa
excluded_volume	90738 Å³
envelope_volume	106550 Å³
shell_volume	34136 Å³
envelope_diameter	90.3 Å
shell_rg	33.66 Å
envelope_rg	25.65 Å
shape_rg	25.73 Å
total_rg	26.49 Å
total_atoms	5136
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	88.2 Å
rg_real	26.79 Å
rg_real_error	0.55 Å
i0_real	8.7430e+07
i0_real_error	1.3160e+06
rg_reciprocal	26.81 Å
i0_reciprocal	87430000.0000
total_estimate	0.8851
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.4 Å
skewness	0.340
kurtosis	-0.303
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	32460000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.967

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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	5220

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 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

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6. Citations (3)

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length_a	52.900 Å
length_b	126.200 Å
length_c	52.780 Å
angle_alpha	90.00 °
angle_beta	105.34 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	0.1550
r_work	0.1550
r_free	0.2530

fit	/app/data/saxs_computation/1a/11as/11as.fit
pddf	/app/data/pr_computation/1a/11as/11as.pr.out
profile	/app/data/saxs_computation/1a/11as/11as.dat

ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L-ASPARAGINE

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