6H22

Crystal structure of Mdm2 bound to a stapled peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	64.416, 72.186, 45.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.062 - 2.006
R-factor	0.2122
Rwork	0.211
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.190	72.190	2.110
High resolution limit [Å]	2.000	6.340	2.010
Rmerge	0.111	0.037	0.732
Rmeas	0.123	0.042	0.811
Rpim	0.053	0.019	0.344
Number of reflections	14472	548	1898
<I/σ(I)>	9.4
Completeness [%]	98.6	99.9	90.9
Redundancy	5.4	4.6	5.4
CC(1/2)	0.998	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	1.1 M sodium malonate dibasic, 0.1 M HEPES pH 7.0, 0.5% v/v Jeffamine ED-2003