32TH

Crystal structure of YTHDF2 in complex with compound 20 (ZA801)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	43.796, 46.295, 72.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.530 - 1.680
R-factor	0.1826
Rwork	0.182
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2.1_6048)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.072	1.704
High resolution limit [Å]	1.675	1.675
Number of reflections	17596	843
<I/σ(I)>	10.2
Completeness [%]	99.9
Redundancy	10.5
CC(1/2)	0.998	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	Co-crystallized with ligand in 0.2 M (NH4)2SO4, 0.1 M MES pH 6.5, and 30%w/v PEG MME 5K