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1d1q

CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP

Method: X-RAY DIFFRACTION D_max: 78.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d1q
deposition_date	1999-09-20
title	CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP
keywords	BETA-ALPHA-BETA, HYDROLASE; HYDROLASE
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	23.40 Å
rg_electron	22.56 Å
i0	23730300.00
molecular_weight	37115.0 kDa
excluded_volume	46346 Å³
envelope_volume	54772 Å³
shell_volume	20957 Å³
envelope_diameter	78.4 Å
shell_rg	28.65 Å
envelope_rg	22.44 Å
shape_rg	22.56 Å
total_rg	23.32 Å
total_atoms	2617
n_residues	317
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	78.1 Å
rg_real	23.48 Å
rg_real_error	0.65 Å
i0_real	2.3730e+07
i0_real_error	3.3600e+05
rg_reciprocal	23.46 Å
i0_reciprocal	23730000.0000
total_estimate	0.8705
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.399
kurtosis	-0.454
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	4686000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.916; Smooth: 0.878

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	TYROSINE PHOSPHATASE (E.C.3.1.3.48)
formula_weight	18671.2 kDa
ec_number	3.1.3.48
mutation	C13A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2985

MTIEKPKISVAFIALGNFCRSPMAEAIFKHEVEKANLENRFNKIDSFGTSNYHVGESPDHRTVSICKQHGVKINHKGKQIKTKHFDEYDYIIGMDESNINNLKKIQPEGSKAKVCLFGDWNTNDGTVQTIIEDPWYGDIQDFEYNFKQITYFSKQFLKKEL

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-NITROPHENYL PHOSPHATE
formula_weight	219.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	368

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6. Citations (2)

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length_a	45.897 Å
length_b	64.151 Å
length_c	112.049 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	1.700 Å
resolution_low	12.000 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2150

fit	/app/data/saxs_computation/d1/1d1q/1d1q.fit
pddf	/app/data/pr_computation/d1/1d1q/1d1q.pr.out
profile	/app/data/saxs_computation/d1/1d1q/1d1q.dat