8CJ1

Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone

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	2017-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	91.564, 93.225, 227.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.880 - 2.564
R-factor	0.2279
Rwork	0.225
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.273	2.630
High resolution limit [Å]	2.564	2.564
Rmerge		0.942
Rmeas	0.413
Rpim	0.112	0.485
Number of reflections	36613	117
<I/σ(I)>	6.844	1.59
Completeness [%]	57.8	2.54
Redundancy	13.31	4.09
CC(1/2)	0.990	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290.15	0.1 M MES pH 6.5 40% (w/v) PEG 200