8DC4

Crystal structure of p53 Y220C covalently bound to carbazole KG3

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	P 31
Unit cell lengths	68.560, 68.560, 220.212
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.370 - 2.400
R-factor	0.1758
Rwork	0.161
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j1x
RMSD bond length	0.011
RMSD bond angle	1.075
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]	59.370	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	45347	6668
<I/σ(I)>	5
Completeness [%]	100.0
Redundancy	4.6
CC(1/2)	0.959	0.533

Crystallization Conditions

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