9N56

Glutarate L-2-hydroxylase K270C mutant-5'-Mal-C2-AGCT DNA conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976284
Spacegroup name	P 4 21 2
Unit cell lengths	124.414, 124.414, 128.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.091 - 2.250
Rwork	0.214
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.244
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]	64.090	64.090	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.157	0.038	1.747
Rmeas	0.163	0.039	1.815
Rpim	0.043	0.010	0.493
Number of reflections	48353	883	4379
<I/σ(I)>	15	60	2.2
Completeness [%]	100.0	99.8	100
Redundancy	26.6	24.4	26.5
CC(1/2)	0.999	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.3 M Lithium sulfate, 0.05 M Bis-Tris pH 7, 18 % w/v PEG 1000