9N8L

Glutarate L-2-hydroxylase N182A, Q184C, K270A mutant-5'-Mal-C2-AGCT DNA conjugate

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	2024-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979361
Spacegroup name	I 4 2 2
Unit cell lengths	96.335, 96.335, 184.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 1.420
R-factor	0.15137
Rwork	0.150
R-free	0.16812
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.434
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]	34.410	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.106	1.642
Rmeas	0.114	1.798
Rpim	0.041	0.726
Number of reflections	81604	3990
<I/σ(I)>	15.9
Completeness [%]	100.0	100
Redundancy	14.8	12
CC(1/2)	0.999	0.359

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