8Q1N

Cyclic peptide binder of the WBM-site of WDR5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 43 21 2
Unit cell lengths	82.174, 82.174, 201.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 1.843
R-factor	0.2002
Rwork	0.198
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.243
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1-4487_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.980	1.909
High resolution limit [Å]	1.843	1.843
Number of reflections	58518	3960
<I/σ(I)>	8.05	0.26
Completeness [%]	96.6	66.37
Redundancy	26.7
CC(1/2)	0.995	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M Li3-Citrate, 20 w/v% PEG3350