8E7A

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	291
Detector technology	PIXEL
Collection date	2022-06-06
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	51.140, 109.484, 33.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.370 - 1.300
R-factor	0.1465
Rwork	0.145
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tsr
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
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]	46.330	46.330	1.320
High resolution limit [Å]	1.300	7.000	1.300
Rmerge	0.077	0.033	1.283
Total number of observations	330751	2130	16930
Number of reflections	47595	378	2339
<I/σ(I)>	11.8	36.2	1.5
Completeness [%]	99.7	99	98.7
Redundancy	6.9	5.6	7.2
CC(1/2)	0.999	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30 % (w/v) PEG 2000 MME, 100 mM potassium thiocyanate