SAXSdb — 1ajs

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1. Structure Basics

entry_id	1ajs
deposition_date	1997-05-08
title	;REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE ;
keywords	CYTOSOLIC ASPARTATE AMINOTRANSFERASE, PIG, IN THE PRESENCE OF LIGAND 2-METHYLASPARTATE, AMINOTRANSFERASE; AMINOTRANSFERASE
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	29.29 Å
rg_electron	28.43 Å
i0	137044000.00
molecular_weight	93293.0 kDa
excluded_volume	116860 Å³
envelope_volume	136290 Å³
shell_volume	39428 Å³
envelope_diameter	106.3 Å
shell_rg	36.23 Å
envelope_rg	28.48 Å
shape_rg	28.41 Å
total_rg	29.16 Å
total_atoms	6588
n_residues	823
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	98.5 Å
rg_real	29.25 Å
rg_real_error	0.84 Å
i0_real	1.3700e+08
i0_real_error	2.3770e+06
rg_reciprocal	29.27 Å
i0_reciprocal	137000000.0000
total_estimate	0.8046
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.7 Å
skewness	0.337
kurtosis	-0.242
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	70320000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.819; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	46393.5 kDa
ec_number	2.6.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6919

APPSVFAEVPQAQPVLVFKLIADFREDPDPRKVNLGVGAYRTDDCQPWVLPVVRKVEQRIANNSSLNHEYLPILGLAEFRTCASRLALGDDSPALQEKRVGGVQSLGGTGALRIGAEFLARWYNGTNNKDTPVYVSSPTWENHNGVFTTAGFKDIRSYRYWDTEKRGLDLQGFLSDLENAPEFSIFVLHACAHNPTGTDPTPEQWKQIASVMKRRFLFPFFDSAYQGFASGNLEKDAWAIRYFVSEGFELFCAQSFSKNFGLYNERVGNLTVVAKEPDSILRVLSQMQKIVRVTWSNPPAQGARIVARTLSDPELFHEWTGNVKTMADRILSMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLINQKHIYLLPSGRINMCGLTTKNLDYVATSIHEAVTKIQ

Entity 2 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	46621.6 kDa
ec_number	2.6.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

APPSVFAEVPQAQPVLVFKLIADFREDPDPRKVNLGVGAYRTDDCQPWVLPVVRKVEQRIANNSSLNHEYLPILGLAEFRTCASRLALGDDSPALQEKRVGGVQSLGGTGALRIGAEFLARWYNGTNNKDTPVYVSSPTWENHNGVFTTAGFKDIRSYRYWDTEKRGLDLQGFLSDLENAPEFSIFVLHACAHNPTGTDPTPEQWKQIASVMKRRFLFPFFDSAYQGFASGNLEKDAWAIRYFVSEGFELFCAQSFSKNFGLYNERVGNLTVVAKEPDSILRVLSQMQKIVRVTWSNPPAQGARIVARTLSDPELFHEWTGNVKTMADRILSMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLINQKHIYLLPSGRINMCGLTTKNLDYVATSIHEAVTKIQ

Entity 3 non-polymer

description	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID
formula_weight	378.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	331

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6. Citations (2)

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length_a	125.000 Å
length_b	130.800 Å
length_c	55.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.600 Å
resolution_low	8.000 Å
r_factor	0.1730
r_work	—
r_free	—

fit	/app/data/saxs_computation/aj/1ajs/1ajs.fit
pddf	/app/data/pr_computation/aj/1ajs/1ajs.pr.out
profile	/app/data/saxs_computation/aj/1ajs/1ajs.dat

;REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE ;

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)