Crystal structure of RXR alpha LBD bound to a partial agonist 21 and a coactivator fragment SRC1

entry_id	9s70
deposition_date	2025-08-01
title	Crystal structure of RXR alpha LBD bound to a partial agonist 21 and a coactivator fragment SRC1
keywords	Partial Agonist, Nuclear Receptor, RXRa, Drug, Transcription Factor, Ligand Binding Domain, TRANSCRIPTION; TRANSCRIPTION
method	X-RAY DIFFRACTION

rg_guinier	17.90 Å
rg_electron	16.99 Å
i0	19948600.00
molecular_weight	23013.0 kDa
excluded_volume	22396 ų
envelope_volume	34840 ų
shell_volume	17166 ų
envelope_diameter	57.0 Å
shell_rg	23.12 Å
envelope_rg	17.14 Å
shape_rg	16.97 Å
total_rg	17.73 Å
total_atoms	1747
n_residues	217
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	56.9 Å
rg_real	17.79 Å
rg_real_error	0.26 Å
i0_real	1.9950e+07
i0_real_error	2.4730e+05
rg_reciprocal	17.81 Å
i0_reciprocal	19950000.0000
total_estimate	0.8962
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.3 Å
skewness	0.183
kurtosis	-0.435
angular_range	— – 0.4450 Å−1
current_alpha	0.0000
highest_alpha	4770000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.993

Unit Cell

length_a	76.962 Å
length_b	76.962 Å
length_c	80.685 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

Symmetry

space_group	P 32 2 1
int_tables_number	154
crystal_system	trigonal

Refinement

resolution	1.950 Å
resolution_low	34.730 Å
r_factor	0.1895
r_work	0.1878
r_free	0.2207

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/s7/9s70/pr_distribution.json
• pr_output /app/data/pr_computation/s7/9s70/9s70.pr.out
• pr_plot /app/data/visualization/pr_computation/s7/9s70/9s70_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/s7/9s70/9s70.dat
• saxs_fit /app/data/saxs_computation/s7/9s70/9s70.fit
• saxs_log /app/data/saxs_computation/s7/9s70/9s70.log
• saxs_plot /app/data/visualization/saxs_computation/s7/9s70/9s70_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/s7/9s70/9s70.fit
pddf	/app/data/pr_computation/s7/9s70/9s70.pr.out
profile	/app/data/saxs_computation/s7/9s70/9s70.dat