TRIOSEPHOSPHATE ISOMERASE (TIM) COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID

Method: X-RAY DIFFRACTION D_max: 77.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1btm
deposition_date	1995-11-11
title	TRIOSEPHOSPHATE ISOMERASE (TIM) COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID
keywords	ISOMERASE; ISOMERASE
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	25.05 Å
rg_electron	23.93 Å
i0	48474500.00
molecular_weight	53797.0 kDa
excluded_volume	67274 Å³
envelope_volume	74805 Å³
shell_volume	26461 Å³
envelope_diameter	78.6 Å
shell_rg	31.14 Å
envelope_rg	24.01 Å
shape_rg	23.96 Å
total_rg	24.64 Å
total_atoms	3781
n_residues	502
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	77.7 Å
rg_real	25.07 Å
rg_real_error	0.45 Å
i0_real	4.8470e+07
i0_real_error	6.3720e+05
rg_reciprocal	25.07 Å
i0_reciprocal	48470000.0000
total_estimate	0.9012
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.365
kurtosis	-0.496
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	12950000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	78.610 Å
length_b	108.420 Å
length_c	71.210 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.800 Å
resolution_low	— Å
r_factor	0.1760
r_work	0.1760
r_free	—

description	TRIOSEPHOSPHATE ISOMERASE
formula_weight	27103.9 kDa
ec_number	5.3.1.1
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	3781

TRIOSEPHOSPHATE ISOMERASE (TIM) COMPLEXED WITH 2-PHOSPHOGLYCOLIC ACID

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Geobacillus stearothermophilus
ncbi_taxonomy_id	1422
host_organism	Escherichia coli

description	2-PHOSPHOGLYCOLIC ACID
formula_weight	156.0 kDa
src_method	man
entity_count	2

fit	/app/data/saxs_computation/bt/1btm/1btm.fit
pddf	/app/data/pr_computation/bt/1btm/1btm.pr.out
profile	/app/data/saxs_computation/bt/1btm/1btm.dat