8EBK

Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	81.520, 108.400, 30.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.034 - 1.290
R-factor	0.1647
Rwork	0.164
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6v4f
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.034	33.040	1.310
High resolution limit [Å]	1.290	3.500	1.290
Rmeas	0.054	0.029	1.683
Rpim	0.015	0.008	0.462
Total number of observations		22594	22433
Number of reflections	34837	1894	1711
<I/σ(I)>	19.6	67.4	1.2
Completeness [%]	99.9	100	99.8
Redundancy	13.1	11.9	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM BisTris pH 6.0, 14.4% PEG 3350, 30mM ammonium sulfate