9N7N

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-AGCT DNA conjugate at 1.82 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	2023-03-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	I 4 2 2
Unit cell lengths	95.794, 95.794, 183.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.897 - 1.820
Rwork	0.219
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.435
Data reduction software	DIALS (3.17.0)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.900	47.900	1.860
High resolution limit [Å]	1.820	9.100	1.820
Rmerge	0.089	0.052	1.347
Rmeas	0.096	0.056	1.448
Rpim	0.036	0.021	0.529
Number of reflections	38517	378	2246
<I/σ(I)>	14	40.1	1.8
Completeness [%]	100.0	99.3	99.8
Redundancy	13.5	11.4	14.1
CC(1/2)	0.998	0.995	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.05 M Lithium sulfate, 0.05 M HEPES pH 6.5, 1.4 M Ammonium sulfate