9V84

Crystal structure of complex Hit-1 with YTHDC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1
Unit cell lengths	54.160, 77.375, 105.238
Unit cell angles	112.72, 93.18, 104.43

Refinement procedure

Resolution	29.468 - 2.400
R-factor	0.2303
Rwork	0.228
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.561
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.072	0.041	0.543
Rmeas	0.085	0.048	0.638
Rpim	0.044	0.025	0.332
Total number of observations	250352
Number of reflections	71126	3593	3543
<I/σ(I)>	6.5
Completeness [%]	98.1	99.4	97.5
Redundancy	3.5	3.4	3.6
CC(1/2)		0.994	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M Bis-Tris at pH 6.5, 0.2M ammonium sulfate, 25% PEG 3350