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1b4x

ASPARTATE AMINOTRANSFERASE FROM E. COLI, C191S MUTATION, WITH BOUND MALEATE

Method: X-RAY DIFFRACTION D_max: 68.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b4x
deposition_date	1998-12-30
title	ASPARTATE AMINOTRANSFERASE FROM E. COLI, C191S MUTATION, WITH BOUND MALEATE
keywords	TRANSFERASE, AMINOTRANSFERASE; TRANSFERASE
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	22.67 Å
rg_electron	21.51 Å
i0	33538700.00
molecular_weight	43898.0 kDa
excluded_volume	54709 Å³
envelope_volume	66064 Å³
shell_volume	25178 Å³
envelope_diameter	69.0 Å
shell_rg	28.66 Å
envelope_rg	21.84 Å
shape_rg	21.48 Å
total_rg	22.48 Å
total_atoms	3092
n_residues	396
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	68.5 Å
rg_real	22.56 Å
rg_real_error	0.31 Å
i0_real	3.3540e+07
i0_real_error	4.2770e+05
rg_reciprocal	22.59 Å
i0_reciprocal	33540000.0000
total_estimate	0.7092
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.0 Å
skewness	0.190
kurtosis	-0.486
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7486000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 0.130; Positv: 1.000; Valcen: 0.991; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	43603.1 kDa
ec_number	2.6.1.1
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3118

MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGSCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	MALEIC ACID
formula_weight	116.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	26

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6. Citations (1)

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length_a	157.130 Å
length_b	86.690 Å
length_c	79.870 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.450 Å
resolution_low	10.000 Å
r_factor	0.2070
r_work	0.2070
r_free	—

fit	/app/data/saxs_computation/b4/1b4x/1b4x.fit
pddf	/app/data/pr_computation/b4/1b4x/1b4x.pr.out
profile	/app/data/saxs_computation/b4/1b4x/1b4x.dat

ASPARTATE AMINOTRANSFERASE FROM E. COLI, C191S MUTATION, WITH BOUND MALEATE

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