6HFA

Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9811
Spacegroup name	P 21 21 21
Unit cell lengths	44.350, 49.410, 82.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.339 - 1.790
R-factor	0.1931
Rwork	0.191
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.350	44.350	1.830
High resolution limit [Å]	1.790	8.000	1.790
Rmerge	0.148	0.051	1.800
Rmeas	0.155	0.054	1.888
Rpim	0.044	0.017	0.551
Number of reflections	17433	249	1147
<I/σ(I)>	11.6
Completeness [%]	98.6	99.9	89.7
Redundancy	12.6	9.9	10.4
CC(1/2)	0.998	0.999	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	90 mM HEPES, 1.26 M Na Citrate, 10% glycerol. Cryo: +30% Glycerol