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1cq7

ASPARTATE AMINOTRANSFERASE (E.C. 2.6.1.1) COMPLEXED WITH C5-PYRIDOXAL-5P-PHOSPHATE

Method: X-RAY DIFFRACTION D_max: 67.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cq7
deposition_date	1999-08-06
title	ASPARTATE AMINOTRANSFERASE (E.C. 2.6.1.1) COMPLEXED WITH C5-PYRIDOXAL-5P-PHOSPHATE
keywords	ENZYME-SUBSTRATE COMPLEX, TRANSFERASE; 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	22.58 Å
rg_electron	21.41 Å
i0	33457400.00
molecular_weight	43915.0 kDa
excluded_volume	54756 Å³
envelope_volume	66040 Å³
shell_volume	25199 Å³
envelope_diameter	68.8 Å
shell_rg	28.58 Å
envelope_rg	21.79 Å
shape_rg	21.38 Å
total_rg	22.36 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	67.7 Å
rg_real	22.47 Å
rg_real_error	0.31 Å
i0_real	3.3460e+07
i0_real_error	4.6720e+05
rg_reciprocal	22.50 Å
i0_reciprocal	33460000.0000
total_estimate	0.9119
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.179
kurtosis	-0.495
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	6957000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	43619.2 kDa
ec_number	2.6.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3201

MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVKKAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQTPGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYYDAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQLSVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGLYNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSNDALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSFSGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID
formula_weight	348.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	109

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6. Citations (1)

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length_a	157.580 Å
length_b	85.590 Å
length_c	78.920 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	2.400 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.2150
r_free	0.2510

fit	/app/data/saxs_computation/cq/1cq7/1cq7.fit
pddf	/app/data/pr_computation/cq/1cq7/1cq7.pr.out
profile	/app/data/saxs_computation/cq/1cq7/1cq7.dat

ASPARTATE AMINOTRANSFERASE (E.C. 2.6.1.1) COMPLEXED WITH C5-PYRIDOXAL-5P-PHOSPHATE

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