8AEU

Structure of hMDM2 in complex with Nutlin-3a-aa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	56.233, 56.233, 75.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.070 - 2.000
R-factor	0.2012
Rwork	0.197
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zfi
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.070	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.048
Number of reflections	8645	6799
<I/σ(I)>	33.6
Completeness [%]	100.0
Redundancy	24.7
CC(1/2)	1.000	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.01 M magnesium chloride hexahydrate, 0.05 M Tris hydrochloride pH 7.6, 1.6 M ammonium sulfate