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1ekp

;CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 2.5 ANGSTROMS (MONOCLINIC FORM). ;

Method: X-RAY DIFFRACTION D_max: 90.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ekp
deposition_date	2000-03-09
title	;CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 2.5 ANGSTROMS (MONOCLINIC FORM). ;
keywords	FOLD TYPE IV, 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	28.79 Å
rg_electron	27.67 Å
i0	105766000.00
molecular_weight	83107.0 kDa
excluded_volume	105030 Å³
envelope_volume	125020 Å³
shell_volume	37032 Å³
envelope_diameter	87.1 Å
shell_rg	35.73 Å
envelope_rg	27.72 Å
shape_rg	27.68 Å
total_rg	28.47 Å
total_atoms	5850
n_residues	730
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	90.0 Å
rg_real	28.71 Å
rg_real_error	0.47 Å
i0_real	1.0580e+08
i0_real_error	1.3640e+06
rg_reciprocal	28.75 Å
i0_reciprocal	105800000.0000
total_estimate	0.9057
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	32.7 Å
skewness	0.244
kurtosis	-0.503
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	46410000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL)
formula_weight	41368.0 kDa
ec_number	2.6.1.42
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6046

ASSSFKAADLQLEMTQKPHKKPGPGEPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIRAHEWMFPV

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	196

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6. Citations (2)

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length_a	59.630 Å
length_b	111.640 Å
length_c	59.900 Å
angle_alpha	90.00 °
angle_beta	95.89 °
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	40.650 Å
r_factor	0.1660
r_work	0.1550
r_free	0.2140

fit	/app/data/saxs_computation/ek/1ekp/1ekp.fit
pddf	/app/data/pr_computation/ek/1ekp/1ekp.pr.out
profile	/app/data/saxs_computation/ek/1ekp/1ekp.dat

;CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 2.5 ANGSTROMS (MONOCLINIC FORM). ;

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