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1b5p

THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1

Method: X-RAY DIFFRACTION D_max: 90.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b5p
deposition_date	1999-01-07
title	THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1
keywords	AMINOTRANSFERASE, PYRIDOXAL ENZYME, 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	28.02 Å
rg_electron	27.15 Å
i0	114247000.00
molecular_weight	84198.0 kDa
excluded_volume	105440 Å³
envelope_volume	124150 Å³
shell_volume	37461 Å³
envelope_diameter	95.7 Å
shell_rg	35.35 Å
envelope_rg	27.17 Å
shape_rg	27.14 Å
total_rg	27.95 Å
total_atoms	5932
n_residues	764
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	90.4 Å
rg_real	27.94 Å
rg_real_error	0.53 Å
i0_real	1.1420e+08
i0_real_error	1.6980e+06
rg_reciprocal	27.97 Å
i0_reciprocal	114200000.0000
total_estimate	0.8911
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.3 Å
skewness	0.318
kurtosis	-0.299
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	50880000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.961

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (ASPARTATE AMINOTRANSFERASE)
formula_weight	42130.9 kDa
ec_number	2.6.1.1
mutation	K101S,S261R
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6272

MRGLSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGSQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTALGLKAVRPSGAFYVLMDTSPIAPDEVRAAERLLEAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFARVLGRA

Source

organism	Thermus thermophilus
ncbi_taxonomy_id	300852
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	340

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6. Citations (1)

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length_a	61.490 Å
length_b	113.620 Å
length_c	124.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2390

fit	/app/data/saxs_computation/b5/1b5p/1b5p.fit
pddf	/app/data/pr_computation/b5/1b5p/1b5p.pr.out
profile	/app/data/saxs_computation/b5/1b5p/1b5p.dat

THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1

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