8CJ3

Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 64
Unit cell lengths	133.906, 133.906, 63.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.610 - 3.000
R-factor	0.2034
Rwork	0.203
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
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]	46.047	3.078
High resolution limit [Å]	3.000	3.000
Rmerge	0.180
Rmeas	0.184
Rpim	0.041	0.661
Number of reflections	10565	238
<I/σ(I)>	17.083	1.132
Completeness [%]	80.1	24.59
Redundancy	20.42	21.88
CC(1/2)	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	0.2 M potassium fluoride 20% (w/v) PEG 3350