5J7G

Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	36.750, 74.301, 171.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.1998
Rwork	0.198
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tj2
RMSD bond length	0.018
RMSD bond angle	2.299
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.700	28.537	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.055	0.509
Number of reflections	40453
<I/σ(I)>	10	4.5	1.5
Completeness [%]	98.7	97.1	98.7
Redundancy	3.9	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M Na HEPES pH 7.5 with 10% isopropanol and 20% PEG 4000