7BMG

Inhibitor of MDM2-p53 Interaction

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	2013-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97957
Spacegroup name	P 65 2 2
Unit cell lengths	71.530, 71.530, 100.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.950 - 1.830
R-factor	0.23
Rwork	0.229
R-free	0.25100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.040
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.950	1.880
High resolution limit [Å]	1.830	1.830
Rmerge	0.044	0.592
Number of reflections	14020	1007
<I/σ(I)>	29.3
Completeness [%]	100.0
Redundancy	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	2.2M (NH4)2SO4