9N8S

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 2.03 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	96.769, 96.769, 184.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 2.030
R-factor	0.21142
Rwork	0.210
R-free	0.24365
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.774
Data reduction software	XDS (20241002)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.430	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.314	2.838
Rmeas	0.326	2.990
Rpim	0.088	0.904
Number of reflections	28337	2044
<I/σ(I)>	10
Completeness [%]	98.8	97.4
Redundancy	26.1	20
CC(1/2)	0.781	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.05 M Bis-Tris pH 7, 1.5 M Lithium sulfate