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11ef

Crystal Structure of L-erythrulose-1-phosphate isomerase from Brucella melitensis (P21 form)

Method: X-RAY DIFFRACTION D_max: 104.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11ef
deposition_date	2026-02-18
last_revision	2026-03-04
title	Crystal Structure of L-erythrulose-1-phosphate isomerase from Brucella melitensis (P21 form)
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, L-erythrulose-1-phosphate isomerase, 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	33.79 Å
rg_electron	33.00 Å
i0	188672000.00
molecular_weight	108980.0 kDa
excluded_volume	135800 Å³
envelope_volume	165160 Å³
shell_volume	40928 Å³
envelope_diameter	108.2 Å
shell_rg	40.46 Å
envelope_rg	32.76 Å
shape_rg	33.01 Å
total_rg	33.50 Å
total_atoms	7652
n_residues	991
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	104.8 Å
rg_real	33.72 Å
rg_real_error	0.74 Å
i0_real	1.8870e+08
i0_real_error	3.0560e+06
rg_reciprocal	33.77 Å
i0_reciprocal	188700000.0000
total_estimate	0.9046
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	35.7 Å
skewness	0.178
kurtosis	-0.669
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	57430000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.961; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.882

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	L-erythrulose-1-phosphate isomerase
formula_weight	28744.6 kDa
ec_number	5.3.1.33
mutation	A173D
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8087

MAHHHHHHKFWIGTSWKMNKTLAEARLFAEALKAADAGRSPDIQRFVIPPFTAVREVKEILSGTSVKVGAQNMHWADQGAWTGEISPLMLKDCNLDIVELGHSERREHFGETNETVGLKVEAAVRHGLIPLICIGETLEDRESGRAAAVLEEEVRGALSKLSEAQKQAEILFAYEPVWDIGENGIPASADYADARQAEIIAVAQSVLARRVPCLYGGSVNPGNCEELIACPHIDGLFIGRSAWNVEGYLDILARCATKVQAN

Source

organism	Brucella abortus 2308
ncbi_taxonomy_id	359391
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	6

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	413

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6. Citations (1)

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length_a	49.668 Å
length_b	141.818 Å
length_c	94.580 Å
angle_alpha	90.00 °
angle_beta	96.42 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.150 Å
resolution_low	46.610 Å
r_factor	0.1813
r_work	0.1794
r_free	0.2180

fit	/app/data/saxs_computation/1e/11ef/11ef.fit
pddf	/app/data/pr_computation/1e/11ef/11ef.pr.out
profile	/app/data/saxs_computation/1e/11ef/11ef.dat