9N7P

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 1.89 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980099
Spacegroup name	I 4 2 2
Unit cell lengths	97.043, 97.043, 185.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.520 - 1.891
Rwork	0.200
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.149
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	Inner shell	Outer shell
Low resolution limit [Å]	48.520	48.520	1.930
High resolution limit [Å]	1.890	9.070	1.890
Rmerge	0.079	0.030	1.467
Rmeas	0.082	0.031	1.524
Rpim	0.022	0.009	0.410
Number of reflections	35691	390	2208
<I/σ(I)>	27.4	81.3	2.6
Completeness [%]	99.8	99.3	97.4
Redundancy	26.4	19.8	25.9
CC(1/2)	1.000	1.000	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	10 % v/v Glycerol, 0.05 M MES pH 5.5, 1.5 M Ammonium sulfate