8CJ2

Urea-based foldamer inhibitor c3u_5 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	2021-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 62
Unit cell lengths	98.670, 98.670, 168.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.410 - 2.127
R-factor	0.1944
Rwork	0.193
R-free	0.21500
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]	49.335	2.182
High resolution limit [Å]	2.127	2.127
Rmerge	0.107	1.545
Rmeas	0.109
Rpim	0.024	0.362
Number of reflections	51901	3706
<I/σ(I)>	20.119	2.007
Completeness [%]	99.8	96.79
Redundancy	21.23	18.79
CC(1/2)	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290.15	0.17 M ammonium sulfate 0.085 M NaOAc pH 4.6 25.5% PEG 2000 MME 15% (v/v) glycerol