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1bkg

ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS WITH MALEATE

Method: X-RAY DIFFRACTION D_max: 116.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bkg
deposition_date	1998-07-07
title	ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS WITH MALEATE
keywords	AMINOTRANSFERASE, PYRIDOXAL ENZYME, RIKEN Structural Genomics/Proteomics Initiative, RSGI, Structural Genomics; 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	36.85 Å
rg_electron	36.00 Å
i0	425129000.00
molecular_weight	168440.0 kDa
excluded_volume	211250 Å³
envelope_volume	258300 Å³
shell_volume	57760 Å³
envelope_diameter	112.2 Å
shell_rg	44.09 Å
envelope_rg	35.69 Å
shape_rg	36.00 Å
total_rg	36.48 Å
total_atoms	11872
n_residues	1528
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	116.0 Å
rg_real	36.72 Å
rg_real_error	0.80 Å
i0_real	4.2510e+08
i0_real_error	6.3800e+06
rg_reciprocal	36.81 Å
i0_reciprocal	425200000.0000
total_estimate	0.9082
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	43.2 Å
skewness	0.183
kurtosis	-0.641
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	162600000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ASPARTATE AMINOTRANSFERASE
formula_weight	42102.9 kDa
ec_number	2.6.1.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12152

MRGLSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGKQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSSQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTALGLKAVRPSGAFYVLMDTSPIAPDEVRAAERLLEAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFARVLGRA

Source

organism	Thermus thermophilus
ncbi_taxonomy_id	300852
host_organism	Escherichia coli

Entity 2 non-polymer

description	4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
formula_weight	248.2 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	MALEIC ACID
formula_weight	116.1 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	280

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6. Citations (1)

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length_a	80.250 Å
length_b	109.710 Å
length_c	197.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.600 Å
resolution_low	8.000 Å
r_factor	0.1970
r_work	0.1970
r_free	0.2380

fit	/app/data/saxs_computation/bk/1bkg/1bkg.fit
pddf	/app/data/pr_computation/bk/1bkg/1bkg.pr.out
profile	/app/data/saxs_computation/bk/1bkg/1bkg.dat

ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS WITH 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