6SI2

p53 cancer mutant Y220S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	65.061, 71.216, 105.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 1.500
R-factor	0.1482
Rwork	0.147
R-free	0.17770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2j1x
RMSD bond length	0.005
RMSD bond angle	0.773
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	0.530
Number of reflections	78532	11369
<I/σ(I)>	14.5	2.9
Completeness [%]	99.4	99.4
Redundancy	4.7	4.6
CC(1/2)	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		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.