Room temperature structure of glucose isomerase by serial femtosecond crystallography

Method: X-RAY DIFFRACTION D_max: 86.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xey
deposition_date	2025-10-28
last_revision	2025-11-12
title	Room temperature structure of glucose isomerase by serial femtosecond crystallography
keywords	glucose isomerase, serial femtosecond crystallography, 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	24.53 Å
rg_electron	23.40 Å
i0	32960300.00
molecular_weight	42780.0 kDa
excluded_volume	52962 Å³
envelope_volume	68392 Å³
shell_volume	24941 Å³
envelope_diameter	88.2 Å
shell_rg	29.61 Å
envelope_rg	24.27 Å
shape_rg	23.39 Å
total_rg	24.20 Å
total_atoms	3024
n_residues	384
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	86.2 Å
rg_real	24.63 Å
rg_real_error	0.79 Å
i0_real	3.2960e+07
i0_real_error	4.3800e+05
rg_reciprocal	24.61 Å
i0_reciprocal	32960000.0000
total_estimate	0.8463
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.500
kurtosis	-0.080
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	5941000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.709; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.879; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	93.730 Å
length_b	99.530 Å
length_c	102.490 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	1.650 Å
resolution_low	71.400 Å
r_factor	0.1964
r_work	0.1956
r_free	0.2291

description	Xylose isomerase
formula_weight	43283.3 kDa
ec_number	5.3.1.5
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3385

Room temperature structure of glucose isomerase by serial femtosecond crystallography

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	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	293

fit	/app/data/saxs_computation/xe/9xey/9xey.fit
pddf	/app/data/pr_computation/xe/9xey/9xey.pr.out
profile	/app/data/saxs_computation/xe/9xey/9xey.dat