9N34

Glutarate L-2-hydroxylase N187C mutant-5'-Mal-C6-TTTT DNA conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-19
Detector	DECTRIS EIGER2 XE CdTe 16M
Wavelength(s)	0.976254
Spacegroup name	P 4 21 2
Unit cell lengths	124.656, 124.656, 126.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	126.550 - 2.860
Rwork	0.214
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.328
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	126.550	126.550	3.010
High resolution limit [Å]	2.860	9.040	2.860
Rmerge	0.392	0.073	5.890
Rmeas	0.407	0.076	6.110
Rpim	0.108	0.020	1.621
Number of reflections	23007	870	3391
<I/σ(I)>	11.5	35.7	1.4
Completeness [%]	97.0	99.9	100
Redundancy	26.3	21.9	27.2
CC(1/2)	0.992	0.984	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M MES monohydrate pH 6.5, 1.6 M Magnesium sulfate heptahydrate