8DC8

Crystal structure of p53 Y220C covalently bound to azaindole KG13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	80
Detector technology	CCD
Collection date	2021-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	68.279, 85.950, 84.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.061 - 1.720
R-factor	0.17140833784
Rwork	0.170
R-free	0.20413
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1x
RMSD bond length	0.006
RMSD bond angle	0.958
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.460	1.720
High resolution limit [Å]	1.720	1.720
Number of reflections	26016	1280
<I/σ(I)>	19.6
Completeness [%]	97.9
Redundancy	13.7
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM HEPES, 2.2M MgSO4