9ZD6

Bacterial interstrand DNA crosslink glycosylase AlkX/YcaQ bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-29
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.96546
Spacegroup name	P 21 21 21
Unit cell lengths	56.598, 115.641, 160.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.840 - 2.600
R-factor	0.2094
Rwork	0.207
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.600	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.135	0.983
Number of reflections	33291	4018
<I/σ(I)>	8.8	2.3
Completeness [%]	99.9	99.8
Redundancy	6.5	6.4
CC(1/2)	0.994	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	100 mM MES/imidazole pH 6.5, 30 mM NaF, 30 mM NaCl, 30 mM NaI, 10% PEG4000, 10% glycerol