MONOHYDROGEN PHOSPHATE BINDING TO TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE

Method: X-RAY DIFFRACTION D_max: 79.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ag1
deposition_date	1997-03-28
title	MONOHYDROGEN PHOSPHATE BINDING TO TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE
keywords	ISOMERASE (INTRAMOLECULAR OXIDOREDUCTASE), ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE); ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.72 Å
rg_electron	24.71 Å
i0	46331500.00
molecular_weight	53513.0 kDa
excluded_volume	67478 Å³
envelope_volume	77946 Å³
shell_volume	26803 Å³
envelope_diameter	80.3 Å
shell_rg	31.68 Å
envelope_rg	24.70 Å
shape_rg	24.71 Å
total_rg	25.54 Å
total_atoms	3771
n_residues	498
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	79.0 Å
rg_real	25.75 Å
rg_real_error	0.43 Å
i0_real	4.6330e+07
i0_real_error	6.2990e+05
rg_reciprocal	25.75 Å
i0_reciprocal	46330000.0000
total_estimate	0.8972
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.8 Å
skewness	0.373
kurtosis	-0.504
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	12450000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.875

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

▶

6. Citations (1)

▶

length_a	112.840 Å
length_b	97.600 Å
length_c	46.700 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	2.360 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1500
r_free	—

description	TRIOSEPHOSPHATE ISOMERASE
formula_weight	26865.8 kDa
ec_number	5.3.1.1
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	O,T
atom_count	3927

MONOHYDROGEN PHOSPHATE BINDING TO TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	156

fit	/app/data/saxs_computation/ag/1ag1/1ag1.fit
pddf	/app/data/pr_computation/ag/1ag1/1ag1.pr.out
profile	/app/data/saxs_computation/ag/1ag1/1ag1.dat