7Z7E

Crystal structure of p63 DNA binding domain in complex with inhibitory DARPin G4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	96.578, 96.578, 77.071
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.290 - 1.800
Rwork	0.197
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3us0
RMSD bond length	0.010
RMSD bond angle	1.606
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.290	48.290	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.012	0.015	0.316
Rmeas	0.027	0.022	0.447
Rpim	0.019	0.015	0.316
Number of reflections	37301	358	2211
<I/σ(I)>	23
Completeness [%]	96.4
Redundancy	1.9	1.7	1.9
CC(1/2)	0.999	0.999	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	25% PEG 3350 0.2M Li2SO4 0.1M HEPES