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1b9b

TRIOSEPHOSPHATE ISOMERASE OF THERMOTOGA MARITIMA

Method: X-RAY DIFFRACTION D_max: 80.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b9b
deposition_date	1999-02-09
title	TRIOSEPHOSPHATE ISOMERASE OF THERMOTOGA MARITIMA
keywords	ISOMERASE, THERMOPHILIC, THERMOTOGA MARITIMA; 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	25.57 Å
rg_electron	24.65 Å
i0	50344100.00
molecular_weight	56837.0 kDa
excluded_volume	71985 Å³
envelope_volume	82788 Å³
shell_volume	28214 Å³
envelope_diameter	84.6 Å
shell_rg	32.01 Å
envelope_rg	24.81 Å
shape_rg	24.65 Å
total_rg	25.50 Å
total_atoms	3998
n_residues	507
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	80.5 Å
rg_real	25.57 Å
rg_real_error	0.47 Å
i0_real	5.0340e+07
i0_real_error	6.3720e+05
rg_reciprocal	25.57 Å
i0_reciprocal	50340000.0000
total_estimate	0.7421
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.360
kurtosis	-0.468
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	18080000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.995; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (TRIOSEPHOSPHATE ISOMERASE)
formula_weight	28554.0 kDa
ec_number	5.3.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4050

ITRKLILAGNWKMHKTISEAKKFVSLLVNELHDVKEFEIVVCPPFTALSEVGEILSGRNIKLGAQNVFYEDQGAFTGEISPLMLQEIGVEYVIVGHSERRRIFKEDDEFINRKVKAVLEKGMTPILCVGETLEEREKGLTFCVVEKQVREGFYGLDKEEAKRVVIAYEPVWAIGTGRVATPQQAQEVHAFIRKLLSEMYDEETAGSIRILYGGSIKPDNFLGLIVQKDIDGGLVGGASLKESFIELARIMRGVIS

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	52

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6. Citations (1)

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length_a	125.950 Å
length_b	125.950 Å
length_c	103.720 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.850 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2109
r_free	0.2490

fit	/app/data/saxs_computation/b9/1b9b/1b9b.fit
pddf	/app/data/pr_computation/b9/1b9b/1b9b.pr.out
profile	/app/data/saxs_computation/b9/1b9b/1b9b.dat

TRIOSEPHOSPHATE ISOMERASE OF THERMOTOGA MARITIMA

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