9N7L

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C6-AGCT DNA conjugate at 2.86 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	2023-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 4 21 2
Unit cell lengths	123.763, 123.763, 147.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	147.480 - 2.860
Rwork	0.230
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.991
Data reduction software	XDS (20220820)
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]	147.480	147.480	3.010
High resolution limit [Å]	2.860	9.040	2.860
Rmerge	0.559	0.080	5.658
Rmeas	0.621	0.088	6.265
Rpim	0.267	0.037	2.670
Number of reflections	27187	997	3915
<I/σ(I)>	4.8	18.2	0.5
Completeness [%]	100.0	99.9	100
Redundancy	10	9	10.3
CC(1/2)	0.980	0.997	0.236

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	25 % v/v Glycerol, 0.05 M Bis-Tris pH 7, 1.4 M Ammonium sulfate