9N8T

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 2.01 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979098
Spacegroup name	I 4 2 2
Unit cell lengths	96.063, 96.063, 183.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.340 - 2.010
R-factor	0.21234
Rwork	0.211
R-free	0.24216
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.384
Data reduction software	XDS (20230630)
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]	34.340	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.256	4.130
Rmeas	0.266	4.279
Rpim	0.071	1.119
Number of reflections	28872	2112
<I/σ(I)>	10	0.9
Completeness [%]	97.9	100
Redundancy	26.7	28
CC(1/2)	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M Sodium chloride, 25 % v/v Glycerol, 0.05 M Bis-Tris pH 7, 1.8 M Ammonium sulfate