7NA3

HDM2 in complex with compound 62

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 61 2 2
Unit cell lengths	56.467, 56.467, 105.166
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.000 - 2.210
R-factor	0.1981
Rwork	0.196
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.438
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.460
High resolution limit [Å]	2.210	2.210
Rmerge	0.076	0.586
Rmeas	0.079	0.024
Number of reflections	5379	29
<I/σ(I)>	28.25	5.6
Completeness [%]	99.4	99
Redundancy	15	15.7
CC(1/2)	1.000	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	undisclosed