9SZZ

p53-Y220C Core Domain Covalently Bound to a Vinyl-Sulfone Fragment

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	2022-12-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	65.103, 71.050, 105.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 1.700
R-factor	0.1766
Rwork	0.176
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.002
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	54253	8524
<I/σ(I)>	12.17
Completeness [%]	99.8
Redundancy	12.51
CC(1/2)	0.990	0.660

Crystallization Conditions

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