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1aw1

TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE

Method: X-RAY DIFFRACTION D_max: 174.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aw1
deposition_date	1997-10-09
title	TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE
keywords	ISOMERASE, PSYCHROPHILIC, VIBRIO MARINUS; 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	52.03 Å
rg_electron	52.08 Å
i0	687111000.00
molecular_weight	213660.0 kDa
excluded_volume	265740 Å³
envelope_volume	358650 Å³
shell_volume	59802 Å³
envelope_diameter	181.0 Å
shell_rg	51.22 Å
envelope_rg	51.61 Å
shape_rg	52.09 Å
total_rg	52.04 Å
total_atoms	15016
n_residues	2036
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	174.4 Å
rg_real	52.16 Å
rg_real_error	2.12 Å
i0_real	6.8710e+08
i0_real_error	1.2670e+07
rg_reciprocal	51.91 Å
i0_reciprocal	686900000.0000
total_estimate	0.6251
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	63.9 Å
skewness	0.318
kurtosis	-0.403
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	22160000.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 0.007; Positv: 1.000; Valcen: 0.979; Smooth: 0.486

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	TRIOSEPHOSPHATE ISOMERASE
formula_weight	26766.2 kDa
ec_number	5.3.1.1
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,D,E,G,H,J,K
atom_count	15324

MRHPVVMGNWKLNGSKEMVVDLLNGLNAELEGVTGVDVAVAPPALFVDLAERTLTEAGSAIILGAQNTDLNNSGAFTGDMSPAMLKEFGATHIIIGHSERREYHAESDEFVAKKFAFLKENGLTPVLCIGESDAQNEAGETMAVCARQLDAVINTQGVEALEGAIIAYEPIWAIGTGKAATAEDAQRIHAQIRAHIAEKSEAVAKNVVIQYGGSVKPENAAAYFAQPDIDGALVGGAALDAKSFAAIAKAAAEAKA

Source

organism	Moritella marina
ncbi_taxonomy_id	90736
host_organism	Escherichia coli

Entity 2 non-polymer

description	2-PHOSPHOGLYCOLIC ACID
formula_weight	156.0 kDa
src_method	man
entity_count	8

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	308

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6. Citations (1)

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length_a	89.508 Å
length_b	138.076 Å
length_c	89.524 Å
angle_alpha	90.00 °
angle_beta	91.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	8.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2150

fit	/app/data/saxs_computation/aw/1aw1/1aw1.fit
pddf	/app/data/pr_computation/aw/1aw1/1aw1.pr.out
profile	/app/data/saxs_computation/aw/1aw1/1aw1.dat

TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE

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