8E7B

Crystal structure of the p53 (Y107H) core domain monoclinic P form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	291
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	43.394, 68.636, 66.951
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	43.130 - 2.500
R-factor	0.2216
Rwork	0.218
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tsr
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.780	47.780	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.134	0.048	0.469
Total number of observations	47603	1056	5356
Number of reflections	13579	307	1541
<I/σ(I)>	7.1	15.6	2.4
Completeness [%]	99.3	98.8	99.9
Redundancy	3.5	3.4	3.5
CC(1/2)	0.990	0.998	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	28 % (w/v) PEG 2000 MME, 100 mM Bis-Tris