9QQU

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	P 32 2 1
Unit cell lengths	67.692, 67.692, 56.212
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.570 - 2.130
R-factor	0.2004
Rwork	0.198
R-free	0.25610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.465
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.7)
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.000	2.190
High resolution limit [Å]	2.130	2.130
Rmeas	0.294
Number of reflections	8617	695
<I/σ(I)>	7.1	1.2
Completeness [%]	99.7	98.1
Redundancy	12.8	13.4
CC(1/2)	0.995	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M Sodium Acetate, pH 5.0 2.0 M Ammonium sulphate