7Z71

Crystal structure of p63 DBD in complex with darpin C14

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	2020-09-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00003
Spacegroup name	P 1
Unit cell lengths	53.033, 63.930, 65.504
Unit cell angles	114.46, 94.60, 104.06

Refinement procedure

Resolution	42.690 - 1.850
R-factor	0.1439
Rwork	0.142
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyn 6fpb
RMSD bond length	0.016
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.640	44.640	1.910
High resolution limit [Å]	1.850	7.170	1.850
Rmerge	0.034	0.024	0.110
Rmeas	0.048	0.028	0.161
Rpim	0.025	0.015	0.084
Number of reflections	58153	995	5768
<I/σ(I)>	22		9.5
Completeness [%]	91.6	91	92.6
Redundancy	3.7	3.6	3.8
CC(1/2)	0.998	0.999	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	25% PEG 3350, 0.2 M sodium chloride, 0.1 M HEPES pH 7.5