9N7U

Glutarate L-2-hydroxylase Q184C mutant-5'-Mal-C2-AGCT DNA conjugate at 2.17 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	2023-10-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980112
Spacegroup name	I 4 2 2
Unit cell lengths	97.110, 97.110, 183.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.560 - 2.170
R-factor	0.2094
Rwork	0.208
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.391
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.230
High resolution limit [Å]	2.170	2.170
Rmerge	0.111	1.371
Rmeas	0.116	1.436
Rpim	0.031	0.420
Number of reflections	23491	1615
<I/σ(I)>	22.4	2.1
Completeness [%]	99.6	95.2
Redundancy	25.9	21.5
CC(1/2)	0.999	0.767

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