4MDQ

Structure of a novel submicromolar MDM2 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Detector technology	PIXEL
Detector	PSI PILATUS 6M
Spacegroup name	P 65 2 2
Unit cell lengths	53.520, 53.520, 122.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.350 - 2.119
R-factor	0.1865
Rwork	0.185
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.800
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.350
High resolution limit [Å]	2.119	2.119
Number of reflections	10977
Completeness [%]	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 M ammonium nitrate, 20% w/v PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K