9N8U

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 1.74 Angstrom resolution

This is a non-PDB format compatible entry.

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	2024-10-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920194
Spacegroup name	I 4 2 2
Unit cell lengths	96.648, 96.648, 184.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.170 - 1.740
Rwork	0.204
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.825
Data reduction software	XDS (20241002)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.128))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.170	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.176	2.499
Rmeas	0.182	2.593
Rpim	0.048	0.690
Number of reflections	45057	2429
<I/σ(I)>	18.9
Completeness [%]	100.0
Redundancy	27
CC(1/2)	1.000	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	25 % v/v Glycerol, 0.05 M Bis-Tris pH 7, 1.4 M Ammonium sulfate