Crystal structure of RXR alpha LBD bound to a synthetic agonist FN558 and a coactivator fragment

entry_id	9rmr
deposition_date	2025-06-18
title	Crystal structure of RXR alpha LBD bound to a synthetic agonist FN558 and a coactivator fragment
keywords	Inhibitor, Nuclear Receptor, RXRa, Drug, Transcription Factor, Ligand Binding Domain, TRANSCRIPTION; TRANSCRIPTION
method	X-RAY DIFFRACTION

rg_guinier	18.10 Å
rg_electron	17.15 Å
i0	20594800.00
molecular_weight	23481.0 kDa
excluded_volume	22875 ų
envelope_volume	35990 ų
shell_volume	17517 ų
envelope_diameter	56.9 Å
shell_rg	23.39 Å
envelope_rg	17.31 Å
shape_rg	17.14 Å
total_rg	17.89 Å
total_atoms	1781
n_residues	220
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	56.6 Å
rg_real	17.98 Å
rg_real_error	0.24 Å
i0_real	2.0590e+07
i0_real_error	2.3600e+05
rg_reciprocal	18.00 Å
i0_reciprocal	20590000.0000
total_estimate	0.9008
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.9 Å
skewness	0.178
kurtosis	-0.450
angular_range	— – 0.4400 Å−1
current_alpha	0.0000
highest_alpha	4561000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.982

Unit Cell

length_a	64.401 Å
length_b	64.401 Å
length_c	112.173 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

Refinement

resolution	1.650 Å
resolution_low	42.300 Å
r_factor	0.1938
r_work	0.1926
r_free	0.2149

Diffraction

temperature

200.0 K

Files (7)

• pr_distribution /app/data/pr_computation/rm/9rmr/pr_distribution.json
• pr_output /app/data/pr_computation/rm/9rmr/9rmr.pr.out
• pr_plot /app/data/visualization/pr_computation/rm/9rmr/9rmr_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/rm/9rmr/9rmr.dat
• saxs_fit /app/data/saxs_computation/rm/9rmr/9rmr.fit
• saxs_log /app/data/saxs_computation/rm/9rmr/9rmr.log
• saxs_plot /app/data/visualization/saxs_computation/rm/9rmr/9rmr_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/rm/9rmr/9rmr.fit
pddf	/app/data/pr_computation/rm/9rmr/9rmr.pr.out
profile	/app/data/saxs_computation/rm/9rmr/9rmr.dat