9G6T

p53-Y220C Core Domain Covalently Bound to 5-Chloro-6-methylpyrazine-2-carbonitrile Soaked at 5 mM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	65.191, 71.145, 105.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 1.560
R-factor	0.1506
Rwork	0.150
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.560	1.560
Rmeas	0.120	2.390
Number of reflections	70579	11271
<I/σ(I)>	13.02	1.03
Completeness [%]	100.0
Redundancy	12	12.38
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT