6Q9U

HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; 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	2012-06-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.99983
Spacegroup name	P 41
Unit cell lengths	45.403, 45.403, 55.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.080 - 2.400
R-factor	0.2083
Rwork	0.205
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9q
RMSD bond length	0.009
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.080	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.141	0.347
Rmeas	0.153	0.380
Rpim	0.087	0.214
Number of reflections	4485
<I/σ(I)>	8.5	4
Completeness [%]	99.7	99.7
Redundancy	6.5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.3M AmSO4, 2% w/v 18-crown-ether, 0.1M HEPES