9N8O

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGGCCT 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	2024-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	I 4 2 2
Unit cell lengths	111.755, 111.755, 176.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.480 - 2.050
R-factor	0.21103
Rwork	0.209
R-free	0.24237
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.350
Data reduction software	XDS (20240723)
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]	94.480	2.295
High resolution limit [Å]	2.050	2.050
Rmerge	0.598	2.756
Rmeas	0.618	2.862
Rpim	0.153	0.759
Number of reflections	20890	1044
<I/σ(I)>	5.4	1.5
Completeness [%]	86.7	52.6
Redundancy	15.7	13.6
CC(1/2)	0.975	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 50 % v/v Ethylene glycol