6Q9Y

HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	41.492, 42.426, 107.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.730 - 1.200
R-factor	0.162
Rwork	0.161
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9q
RMSD bond length	0.009
RMSD bond angle	1.268
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.035	0.517
Rmeas	0.039	0.571
Number of reflections	60131
<I/σ(I)>	25.7	3.4
Completeness [%]	99.9	99.2
Redundancy	6.2	5.5
CC(1/2)	1.000	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	2.5M AmSO4, 0.1M KSCN, 1% v/v MPD, 0.1M MES