9N8V

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 1.78 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920194
Spacegroup name	I 4 2 2
Unit cell lengths	96.524, 96.524, 184.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.126 - 1.780
Rwork	0.202
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.845
Data reduction software	XDS (20241002)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.128))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.130	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.189	2.749
Rmeas	0.196	2.854
Rpim	0.052	0.768
Number of reflections	42058	2371
<I/σ(I)>	15.9
Completeness [%]	100.0	100
Redundancy	27.1	26.5
CC(1/2)	0.999	0.334

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.15 M Potassium chloride, 25 % v/v Glycerol, 0.05 M Bis-Tris pH 7, 1.6 M Ammonium sulfate