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1a50

CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE

Method: X-RAY DIFFRACTION D_max: 92.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a50
deposition_date	1998-02-18
title	CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE
keywords	LYASE, CARBON-OXYGEN LYASE, TRYPTOPHAN BIOSYNTHESIS, PYRIDOXAL PHOSPHATE; LYASE
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	27.28 Å
rg_electron	26.47 Å
i0	81454800.00
molecular_weight	70489.0 kDa
excluded_volume	88057 Å³
envelope_volume	101280 Å³
shell_volume	32098 Å³
envelope_diameter	95.0 Å
shell_rg	33.81 Å
envelope_rg	26.78 Å
shape_rg	26.45 Å
total_rg	27.23 Å
total_atoms	4953
n_residues	650
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	92.4 Å
rg_real	27.36 Å
rg_real_error	0.61 Å
i0_real	8.1450e+07
i0_real_error	1.2040e+06
rg_reciprocal	27.34 Å
i0_reciprocal	81450000.0000
total_estimate	0.6662
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	28.7 Å
skewness	0.470
kurtosis	-0.213
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	26720000.0000
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: 0.983; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	TRYPTOPHAN SYNTHASE (ALPHA CHAIN)
formula_weight	28698.8 kDa
ec_number	4.2.1.20
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5191

MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA

Entity 2 polymer

description	TRYPTOPHAN SYNTHASE (BETA CHAIN)
formula_weight	42857.8 kDa
ec_number	4.2.1.20
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDILKARGEI

Entity 3 non-polymer

description	5-FLUOROINDOLE PROPANOL PHOSPHATE
formula_weight	273.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

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

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	238

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6. Citations (1)

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length_a	182.700 Å
length_b	60.700 Å
length_c	67.500 Å
angle_alpha	90.00 °
angle_beta	94.50 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.300 Å
resolution_low	10.000 Å
r_factor	0.1770
r_work	0.1770
r_free	0.2470

fit	/app/data/saxs_computation/a5/1a50/1a50.fit
pddf	/app/data/pr_computation/a5/1a50/1a50.pr.out
profile	/app/data/saxs_computation/a5/1a50/1a50.dat

CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL 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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)