7AYE

Crystal structure of the computationally designed chemically disruptable heterodimer LD6-MDM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	73.238, 73.238, 92.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.200 - 2.950
R-factor	0.2006
Rwork	0.197
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5afg
RMSD bond length	0.008
RMSD bond angle	1.610
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	3.130
High resolution limit [Å]	2.950	2.950
Number of reflections	5646	872
<I/σ(I)>	22.18	2.19
Completeness [%]	99.8	99.8
Redundancy	6.9
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.5 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6.5