8QWL

Structure of p53 cancer mutant Y163C

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	2020-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	68.600, 84.500, 65.862
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.250 - 1.650
R-factor	0.168516695002
Rwork	0.167
R-free	0.18929
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.832
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]	42.300	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.069	0.666
Number of reflections	23257	1107
<I/σ(I)>	13.1	2
Completeness [%]	99.6	98.7
Redundancy	5.5	4
CC(1/2)	0.999	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 24% PEG 3350 (w/v), 10% ethylene glycol (v/v), 0.2 M sodium malonate (pH 7.0).