8QWK

Structure of p53 cancer mutant Y126C

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	2019-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 65 2 2
Unit cell lengths	45.188, 45.188, 331.301
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.100 - 1.690
R-factor	0.196997491503
Rwork	0.196
R-free	0.21808
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.799
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]	39.100	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.053	0.932
Number of reflections	24105	1190
<I/σ(I)>	17.6	2.4
Completeness [%]	99.9	99.9
Redundancy	7.2	7.7
CC(1/2)	0.999	0.803

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), 300 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 0.7 M sodium citrate and 0.1 M bis-tris-propane (pH 7.0).