7Z72

Crystal structure of p63 SAM in complex with darpin A5

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	2021-01-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.99987
Spacegroup name	P 1 21 1
Unit cell lengths	48.453, 43.878, 50.008
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	44.490 - 1.800
R-factor	0.1608
Rwork	0.159
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s9s 2y9u
RMSD bond length	0.014
RMSD bond angle	1.397
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]	45.920	45.920	1.860
High resolution limit [Å]	1.800	6.970	1.800
Rmerge	0.090	0.031	0.802
Rmeas	0.109	0.034	0.968
Rpim	0.045	0.014	0.392
Number of reflections	17870	340	1745
<I/σ(I)>	11.8		2
Completeness [%]	99.0	99.5	99.6
Redundancy	5.9	5.9	6
CC(1/2)	0.998	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293.15	25% PEG3350, 0.1 M citrate pH 3.5