4WT2

Co-crystal Structure of MDM2 in Complex with AM-7209

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97741
Spacegroup name	P 61 2 2
Unit cell lengths	45.517, 45.517, 208.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.760 - 1.420
R-factor	0.177
Rwork	0.176
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4erf
RMSD bond length	0.005
RMSD bond angle	1.233
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.470
High resolution limit [Å]	1.420	3.060	1.420
Rmerge	0.065	0.032	0.774
Total number of observations	369644
Number of reflections	25560
<I/σ(I)>	8.8
Completeness [%]	99.9	99.9	99.4
Redundancy	14.5	15	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	1.4M Ammonium Sulfate, 0.1M Sodium Citrate