Crystal structure of an engineered TPR domain in complex with the HSP90 peptide MEEVD

entry_id	9qqu
deposition_date	2025-04-02
last_revision	2026-04-15
title	Crystal structure of an engineered TPR domain in complex with the HSP90 peptide MEEVD
keywords	Engineered protein, Complex, Tetratricopeptide repeat domain, Hsp90 protein binding, CHAPERONE; CHAPERONE
method	X-RAY DIFFRACTION

rg_guinier	16.90 Å
rg_electron	16.24 Å
i0	6049580.00
molecular_weight	17266.0 kDa
excluded_volume	21373 ų
envelope_volume	25014 ų
shell_volume	13558 ų
envelope_diameter	60.4 Å
shell_rg	21.43 Å
envelope_rg	16.57 Å
shape_rg	16.22 Å
total_rg	17.22 Å
total_atoms	1210
n_residues	144
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	62.3 Å
rg_real	16.91 Å
rg_real_error	0.50 Å
i0_real	6.0500e+06
i0_real_error	7.4370e+04
rg_reciprocal	16.91 Å
i0_reciprocal	6050000.0000
total_estimate	0.8326
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.7 Å
skewness	0.431
kurtosis	0.041
angular_range	— – 0.4700 Å−1
current_alpha	0.0000
highest_alpha	1583000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.649; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.875; Smooth: 0.996

Unit Cell

length_a	67.692 Å
length_b	67.692 Å
length_c	56.212 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	2.130 Å
resolution_low	40.570 Å
r_factor	0.2004
r_work	0.1976
r_free	0.2561

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/qq/9qqu/pr_distribution.json
• pr_output /app/data/pr_computation/qq/9qqu/9qqu.pr.out
• pr_plot /app/data/visualization/pr_computation/qq/9qqu/9qqu_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/qq/9qqu/9qqu.dat
• saxs_fit /app/data/saxs_computation/qq/9qqu/9qqu.fit
• saxs_log /app/data/saxs_computation/qq/9qqu/9qqu.log
• saxs_plot /app/data/visualization/saxs_computation/qq/9qqu/9qqu_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/qq/9qqu/9qqu.fit
pddf	/app/data/pr_computation/qq/9qqu/9qqu.pr.out
profile	/app/data/saxs_computation/qq/9qqu/9qqu.dat