6SHZ

p53 cancer mutant Y220C

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 PILATUS3 S 6M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	65.182, 71.154, 105.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.487 - 1.240
R-factor	0.1523
Rwork	0.151
R-free	0.17250
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2j1x
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.973	1.310
High resolution limit [Å]	1.240	1.240
Rmerge	0.053	0.582
Number of reflections	135992	19284
<I/σ(I)>	15.6	3.1
Completeness [%]	98.0	96.2
Redundancy	5.5	5.5
CC(1/2)	0.999	0.887

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.