← Back to search

1a5a

;CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 ;

Method: X-RAY DIFFRACTION D_max: 93.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a5a
deposition_date	1998-02-12
title	;CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 ;
keywords	CARBON-OXYGEN LYASE, MUTATION AT POSITION 60 (ASP --> ASN) IN THE A-SUBUNIT, LYASE; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.51 Å
rg_electron	26.67 Å
i0	78800800.00
molecular_weight	69673.0 kDa
excluded_volume	87206 Å³
envelope_volume	100940 Å³
shell_volume	31929 Å³
envelope_diameter	96.7 Å
shell_rg	33.85 Å
envelope_rg	26.88 Å
shape_rg	26.65 Å
total_rg	27.42 Å
total_atoms	4895
n_residues	644
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

▼

3. P(r) Analysis (GNOM)

dmax	93.7 Å
rg_real	27.59 Å
rg_real_error	0.79 Å
i0_real	7.8800e+07
i0_real_error	1.2270e+06
rg_reciprocal	27.56 Å
i0_reciprocal	78800000.0000
total_estimate	0.6663
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.465
kurtosis	-0.217
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	18210000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.978; Smooth: 0.967

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	TRYPTOPHAN SYNTHASE (ALPHA CHAIN)
formula_weight	28697.8 kDa
ec_number	4.2.1.20
mutation	D60N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5289

MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLANGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 polymer

description	TRYPTOPHAN SYNTHASE (BETA CHAIN)
formula_weight	42973.0 kDa
ec_number	4.2.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGLI

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 3 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	394

▶

6. Citations (1)

▶

length_a	183.500 Å
length_b	59.400 Å
length_c	67.300 Å
angle_alpha	90.00 °
angle_beta	94.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	8.000 Å
r_factor	0.2380
r_work	0.2380
r_free	0.2980

fit	/app/data/saxs_computation/a5/1a5a/1a5a.fit
pddf	/app/data/pr_computation/a5/1a5a/1a5a.pr.out
profile	/app/data/saxs_computation/a5/1a5a/1a5a.dat

;CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 ;

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)