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1a0e

XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA

Method: X-RAY DIFFRACTION D_max: 101.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0e
deposition_date	1997-11-28
title	XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA
keywords	;KETOLISOMERASE, XYLOSE METABOLISM, GLUCOSE-FRUCTOSE INTERCONVERSION, HYDRIDE TRANSFER, ALPHA-BETA BARREL, METALLOENZYME, THERMOPHILE ;; KETOLISOMERASE
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	31.79 Å
rg_electron	30.81 Å
i0	147451000.00
molecular_weight	99310.0 kDa
excluded_volume	125170 Å³
envelope_volume	163200 Å³
shell_volume	43298 Å³
envelope_diameter	105.4 Å
shell_rg	38.64 Å
envelope_rg	30.73 Å
shape_rg	30.79 Å
total_rg	31.56 Å
total_atoms	7018
n_residues	886
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	101.6 Å
rg_real	31.69 Å
rg_real_error	0.90 Å
i0_real	1.4750e+08
i0_real_error	2.2690e+06
rg_reciprocal	31.74 Å
i0_reciprocal	147500000.0000
total_estimate	0.9027
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	34.5 Å
skewness	0.214
kurtosis	-0.565
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	66180000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.961

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	XYLOSE ISOMERASE
formula_weight	50831.6 kDa
ec_number	5.3.1.5
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	7274

AEFFPEIPKVQFEGKESTNPLAFKFYDPEEIIDGKPLKDHLKFSVAFWHTFVNEGRDPFGDPTADRPWNRYTDPMDKAFARVDALFEFCEKLNIEYFCFHDRDIAPEGKTLRETNKILDKVVERIKERMKDSNVKLLWGTANLFSHPRYMHGAATTCSADVFAYAAAQVKKALEITKELGGEGYVFWGGREGYETLLNTDLGFELENLARFLRMAVDYAKRIGFTGQFLIEPKPKEPTKHQYDFDVATAYAFLKSHGLDEYFKFNIEANHATLAGHTFQHELRMARILGKLGSIDANQGDLLLGWDTDQFPTNVYDTTLAMYEVIKAGGFTKGGLNFDAKVRRASYKVEDLFIGHIAGMDTFALGFKVAYKLVKDGVLDKFIEEKYRSFREGIGRDIVEGKVDFEKLEEYIIDKETIELPSGKQEYLESLINSYIVKTILELR

Source

organism	Thermotoga neapolitana
ncbi_taxonomy_id	2337
host_organism	Escherichia coli

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	6

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	256

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6. Citations (3)

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length_a	161.790 Å
length_b	121.870 Å
length_c	98.860 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.700 Å
resolution_low	12.500 Å
r_factor	0.1800
r_work	0.1800
r_free	0.2030

fit	/app/data/saxs_computation/a0/1a0e/1a0e.fit
pddf	/app/data/pr_computation/a0/1a0e/1a0e.pr.out
profile	/app/data/saxs_computation/a0/1a0e/1a0e.dat

XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA

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