9SPS

p53 cancer mutant E285K in complex with DARPin C10-H82R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95374
Spacegroup name	P 1 21 1
Unit cell lengths	37.680, 93.911, 53.335
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	28.250 - 1.420
R-factor	0.147364333951
Rwork	0.146
R-free	0.17743
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.250	1.450
High resolution limit [Å]	1.420	1.420
Rmerge	0.053	0.648
Rpim	0.022	0.278
Number of reflections	65164	3204
<I/σ(I)>	18.2	2.6
Completeness [%]	99.9	98
Redundancy	6.9	6.3
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein concentration p53-DARPin complex: 0.54 mg/ml in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 25% PEG3350, 0.2 M lithium sulfate monohydrate, 0.1 M Tris pH 8.5. Drop ratio protein vs reservoir buffer: 2:1.