9N8D

Glutarate L-2-hydroxylase N182A, Q184C mutant-5'-Mal-C2-AGCT DNA conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	I 4 2 2
Unit cell lengths	96.757, 96.757, 183.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.840 - 1.840
R-factor	0.20832
Rwork	0.207
R-free	0.23818
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.514
Data reduction software	XDS (20240723)
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]	54.890	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.200	5.488
Rmeas	0.208	5.789
Rpim	0.055	1.803
Number of reflections	38003	2205
<I/σ(I)>	11.7
Completeness [%]	99.6	95.1
Redundancy	27.1	19.5
CC(1/2)	0.999	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Sodium chloride, 0.1 M Sodium cacodylate trihydrate pH 6.5, 2 M Ammonium sulfate