9S9M

Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt analog 7

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 21 21 21
Unit cell lengths	64.832, 71.037, 104.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.100 - 1.830
R-factor	0.193214583308
Rwork	0.192
R-free	0.22552
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.040	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.074	1.622
Number of reflections	43365	2654
<I/σ(I)>	17.5	1.9
Completeness [%]	100.0	100
Redundancy	13.7	14.1
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 19 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.