28ZR

Crystal structure of human DHX8 in complex with compound 51 and ADP

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 P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-25
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	66.311, 167.727, 137.353
Unit cell angles	90.00, 92.61, 90.00

Refinement procedure

Resolution	35.800 - 2.450
R-factor	0.2165
Rwork	0.215
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (26-JUL-2023))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	106.200	106.200	2.490
High resolution limit [Å]	2.450	13.420	2.450
Rmerge	0.220	0.058	2.454
Rmeas	0.238	0.063	2.648
Rpim	0.089	0.025	0.987
Total number of observations	773598	4679	38039
Number of reflections	109277	695	5360
<I/σ(I)>	6.2	16.2	1
Completeness [%]	99.5	99.2	99.5
Redundancy	7.1	6.7	7.1
CC(1/2)	0.993	0.997	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.5 microliter of DHX8del547 at 3 mg/mL with 1 mM ADP and 1 mM MgCl2, plus 1.5 microliter of a crystallisation solution consisting of 15% (v/v) MPD, 100 mM Sodium Acetate pH 5.5 and 6% (v/v) DMSO, against 250 microliter of crystallisation solution