9N7X

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 2.61 Angstrom resolution

This is a non-PDB format compatible entry.

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	97.154, 97.154, 184.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 2.610
R-factor	0.22912
Rwork	0.228
R-free	0.24718
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.092
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	Outer shell
Low resolution limit [Å]	48.580	2.730
High resolution limit [Å]	2.610	2.610
Rmerge	0.245	1.696
Rmeas	0.255	1.767
Rpim	0.070	1.755
Number of reflections	13703	1519
<I/σ(I)>	8.4	1.8
Completeness [%]	99.2	93.2
Redundancy	25.3	23.7
CC(1/2)	0.998	0.856

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