8A92

p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9188
Spacegroup name	P 21 21 21
Unit cell lengths	65.077, 71.109, 105.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.680 - 1.370
R-factor	0.1536
Rwork	0.153
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4agl
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.370	1.370
Rmeas	0.117	2.570
Number of reflections	103036	16479
<I/σ(I)>	14.4	1
Completeness [%]	100.0	100
Redundancy	13.2	13.3
CC(1/2)	0.990	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.15	293	100 mM HEPES (pH = 7.15), 19 % PEG4000 and 10 mM DTT