Apo structure of glxR

Method: X-RAY DIFFRACTION D_max: 111.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rfa
deposition_date	2025-06-04
title	Apo structure of glxR
keywords	Fragment based drug discovery, kinase, Hydrolase; HYDROLASE
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	34.11 Å
rg_electron	33.74 Å
i0	237581000.00
molecular_weight	123810.0 kDa
excluded_volume	154820 Å³
envelope_volume	187740 Å³
shell_volume	46840 Å³
envelope_diameter	113.5 Å
shell_rg	40.37 Å
envelope_rg	34.01 Å
shape_rg	33.74 Å
total_rg	34.18 Å
total_atoms	8691
n_residues	1185
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	111.8 Å
rg_real	34.11 Å
rg_real_error	0.70 Å
i0_real	2.3760e+08
i0_real_error	3.7240e+06
rg_reciprocal	34.11 Å
i0_reciprocal	237600000.0000
total_estimate	0.8705
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	43.8 Å
skewness	0.360
kurtosis	-0.253
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0001
highest_alpha	84070000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.694

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	80.442 Å
length_b	121.465 Å
length_c	132.835 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.069 Å
resolution_low	60.730 Å
r_factor	0.2712
r_work	0.2701
r_free	0.3150

description	Probable oxidoreductase
formula_weight	32990.6 kDa
src_method	man
entity_count	4

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8736

Apo structure of glxR

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287
host_organism	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	45

fit	/app/data/saxs_computation/rf/9rfa/9rfa.fit
pddf	/app/data/pr_computation/rf/9rfa/9rfa.pr.out
profile	/app/data/saxs_computation/rf/9rfa/9rfa.dat