6SI1

p53 cancer mutant Y220H

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	2018-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000031
Spacegroup name	P 21 21 21
Unit cell lengths	64.762, 70.771, 104.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.777 - 1.440
R-factor	0.1532
Rwork	0.152
R-free	0.17850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2j1x
RMSD bond length	0.006
RMSD bond angle	0.832
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	1.470
High resolution limit [Å]	1.440	1.440
Rmerge	0.086	0.635
Rmeas	0.095	0.698
Rpim	0.039	0.287
Total number of observations	478157
Number of reflections	86307	4333
<I/σ(I)>	9.3	2.4
Completeness [%]	98.5	97.7
Redundancy	5.5	5.6
CC(1/2)	0.995	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.