5OAI

Structure of MDM2 with low molecular weight inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	277
Detector technology	PIXEL
Collection date	2017-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	I 2 2 2
Unit cell lengths	49.731, 59.216, 83.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.780 - 2.000
R-factor	0.2161
Rwork	0.216
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tj2
RMSD bond length	0.003
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.780	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.477
Rmeas	0.069	0.564
Rpim	0.037	0.299
Number of reflections	8652
<I/σ(I)>	16
Completeness [%]	99.2	98.35
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.15	0.1 M Bis-Tris pH 6.5, 20% (w/v) PEG 5000 MME