8QWN

Structure of p53 cancer mutant Y220C (hexagonal crystal form)

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	2023-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	45.330, 45.330, 332.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.300 - 1.440
R-factor	0.171052924572
Rwork	0.169
R-free	0.20915
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.046	1.094
Number of reflections	38726	1789
<I/σ(I)>	28	2.5
Completeness [%]	99.4	94.1
Redundancy	13.2	13.2
CC(1/2)	1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP Reservoir buffer: 20% w/v PEG 8000 (w/v), 0.1 M Tris pH 8.5, 0.2 M magnesium chloride hexahydrate.